(3S)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O4S/c1-15(16-7-4-3-5-8-16)23-21(25)17-9-6-12-24(14-17)29(26,27)18-10-11-20(28-2)19(22)13-18/h3-5,7-8,10-11,13,15,17H,6,9,12,14H2,1-2H3,(H,23,25)/t15-,17-/m0/s1