N-benzo[e][1,3]benzothiazol-2-yl-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-benzo[e][1,3]benzothiazol-2-yl-piperidine-3-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(2-benzo[e][1,3]benzothiazolyl)-3-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-benzo[e][1,3]benzothiazol-2-ylpiperidine-3-carboxamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-1-besyl-nipecotamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54

InChI

InChI=1S/C23H21N3O3S2/c27-22(17-8-6-14-26(15-17)31(28,29)18-9-2-1-3-10-18)25-23-24-21-19-11-5-4-7-16(19)12-13-20(21)30-23/h1-5,7,9-13,17H,6,8,14-15H2,(H,24,25,27)