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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)piperidine-3-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-N-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-1-tosyl-nipecotamide Formula: C27H27N3O3S2 MolecularWeight: 505.65158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N(CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N(CC3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H27N3O3S2/c1-20-13-15-23(16-14-20)35(32,33)29-17-7-10-22(19-29)26(31)30(18-21-8-3-2-4-9-21)27-28-24-11-5-6-12-25(24)34-27/h2-6,8-9,11-16,22H,7,10,17-19H2,1H3