(3S)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2,6-dimethylphenyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-(2,6-dimethylphenyl)nipecotamide Formula: C21H25ClN2O4S MolecularWeight: 436.9522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4S/c1-14-6-4-7-15(2)20(14)23-21(25)16-8-5-11-24(13-16)29(26,27)17-9-10-19(28-3)18(22)12-17/h4,6-7,9-10,12,16H,5,8,11,13H2,1-3H3,(H,23,25)/t16-/m0/s1