N-[4-[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloranyl-pyridine-4-carboxamide

Systemtic Name: N-[4-[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl]-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloranyl-pyridine-4-carboxamide Openeye Name: N-[4-[2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloro-pyridine-4-carboxamide CAS Name: N-[4-[2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloro-4-pyridinecarboxamide IUPAC Name: N-[4-[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloropyridine-4-carboxamide Traditional Name: N-[4-[2-(4-carbamoylpiperidino)-2-keto-ethyl]-7-hydroxy-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-2-chloro-isonicotinamide Formula: C28H36ClN5O5S MolecularWeight: 590.13394

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C(C1CC3=C(C2CC(=O)N4CCC(CC4)C(=O)N)N=C(S3)NC(=O)C5=CC(=NC=C5)Cl)(C)CO)O

Isomeric SMILES

CC12CCC(C(C1CC3=C(C2CC(=O)N4CCC(CC4)C(=O)N)N=C(S3)NC(=O)C5=CC(=NC=C5)Cl)(C)CO)O

InChI

InChI=1S/C28H36ClN5O5S/c1-27-7-3-20(36)28(2,14-35)19(27)13-18-23(17(27)12-22(37)34-9-5-15(6-10-34)24(30)38)32-26(40-18)33-25(39)16-4-8-31-21(29)11-16/h4,8,11,15,17,19-20,35-36H,3,5-7,9-10,12-14H2,1-2H3,(H2,30,38)(H,32,33,39)