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

Systemtic Name: (3S)-N-(3-chloranyl-4-methyl-phenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(3-chloro-4-methyl-phenyl)-1-(4-methoxyphenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(3-chloro-4-methylphenyl)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(3-chloro-4-methylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(3-chloro-4-methyl-phenyl)-1-(4-methoxyphenyl)sulfonyl-nipecotamide Formula: C20H23ClN2O4S MolecularWeight: 422.92562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4S/c1-14-5-6-16(12-19(14)21)22-20(24)15-4-3-11-23(13-15)28(25,26)18-9-7-17(27-2)8-10-18/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,22,24)/t15-/m0/s1