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

Systemtic Name: (3S)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-(3-ethanoylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-N-(3-acetylphenyl)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(3-acetylphenyl)-1-(3-chloro-4-methoxyphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(3-acetylphenyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(3-acetylphenyl)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-nipecotamide Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5S/c1-14(25)15-5-3-7-17(11-15)23-21(26)16-6-4-10-24(13-16)30(27,28)18-8-9-20(29-2)19(22)12-18/h3,5,7-9,11-12,16H,4,6,10,13H2,1-2H3,(H,23,26)/t16-/m0/s1