N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-benzyl-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-1-tosyl-isonipecotamide Formula: C29H31N3O3S2 MolecularWeight: 533.70474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CC3=CC=CC=C3)C4=NC5=C(C=CC(=C5S4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CC3=CC=CC=C3)C4=NC5=C(C=CC(=C5S4)C)C

InChI

InChI=1S/C29H31N3O3S2/c1-20-9-13-25(14-10-20)37(34,35)31-17-15-24(16-18-31)28(33)32(19-23-7-5-4-6-8-23)29-30-26-21(2)11-12-22(3)27(26)36-29/h4-14,24H,15-19H2,1-3H3