(3S)-1-(4-chlorophenyl)carbonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4-chlorobenzoyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-chlorobenzoyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4-chlorobenzoyl)-N-(6-mesyl-1,3-benzothiazol-2-yl)nipecotamide Formula: C21H20ClN3O4S2 MolecularWeight: 477.9842

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)[C@H]3CCCN(C3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN3O4S2/c1-31(28,29)16-8-9-17-18(11-16)30-21(23-17)24-19(26)14-3-2-10-25(12-14)20(27)13-4-6-15(22)7-5-13/h4-9,11,14H,2-3,10,12H2,1H3,(H,23,24,26)/t14-/m0/s1