N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-(1-piperidylsulfonyl)benzamide CAS Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-4-piperidinosulfonyl-benzamide Formula: C23H23N3O3S2 MolecularWeight: 453.57702

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)CCC5=CC=CC=C54

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)CCC5=CC=CC=C54

InChI

InChI=1S/C23H23N3O3S2/c27-22(17-8-11-18(12-9-17)31(28,29)26-14-4-1-5-15-26)25-23-24-21-19-7-3-2-6-16(19)10-13-20(21)30-23/h2-3,6-9,11-12H,1,4-5,10,13-15H2,(H,24,25,27)