(3S)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-methyl-N-(phenylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-methyl-N-(phenylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-N-benzyl-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-methyl-piperidine-3-carboxamide CAS Name: (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-methyl-N-(phenylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-benzyl-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide Traditional Name: (3S)-N-benzyl-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-methyl-nipecotamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H25ClN2O4S/c1-23(14-16-7-4-3-5-8-16)21(25)17-9-6-12-24(15-17)29(26,27)18-10-11-20(28-2)19(22)13-18/h3-5,7-8,10-11,13,17H,6,9,12,14-15H2,1-2H3/t17-/m0/s1