2-[(4S,4aR,7R,8R,8aS)-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-2-[(phenylmethyl)amino]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[(4S,4aR,7R,8R,8aS)-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-2-[(phenylmethyl)amino]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone Openeye Name: 2-[(4S,4aR,7R,8R,8aS)-2-(benzylamino)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-(4-methyl-1-piperidyl)ethanone CAS Name: 2-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-[(phenylmethyl)amino]-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-(4-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[(4S,4aR,7R,8R,8aS)-2-(benzylamino)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[(4S,4aR,7R,8R,8aS)-2-(benzylamino)-7-hydroxy-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-(4-methylpiperidino)ethanone Formula: C29H41N3O3S MolecularWeight: 511.71914

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CC2C3=C(CC4C2(CCC(C4(C)CO)O)C)SC(=N3)NCC5=CC=CC=C5

Isomeric SMILES

CC1CCN(CC1)C(=O)C[C@@H]2C3=C(C[C@H]4[C@]2(CC[C@H]([C@@]4(C)CO)O)C)SC(=N3)NCC5=CC=CC=C5

InChI

InChI=1S/C29H41N3O3S/c1-19-10-13-32(14-11-19)25(35)15-21-26-22(36-27(31-26)30-17-20-7-5-4-6-8-20)16-23-28(21,2)12-9-24(34)29(23,3)18-33/h4-8,19,21,23-24,33-34H,9-18H2,1-3H3,(H,30,31)/t21-,23+,24-,28+,29+/m1/s1