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

Systemtic Name: (3S)-N-(4-acetamidophenyl)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-acetamidophenyl)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(4-acetamidophenyl)-1-(3-chloro-4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-acetamidophenyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-acetamidophenyl)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-nipecotamide Formula: C21H24ClN3O5S MolecularWeight: 465.95036

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C21H24ClN3O5S/c1-14(26)23-16-5-7-17(8-6-16)24-21(27)15-4-3-11-25(13-15)31(28,29)18-9-10-20(30-2)19(22)12-18/h5-10,12,15H,3-4,11,13H2,1-2H3,(H,23,26)(H,24,27)/t15-/m0/s1