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

Systemtic Name: (3S)-1-(3-chloranyl-4-methoxy-phenyl)sulfonyl-N-(2,6-diethylphenyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-(2,6-diethylphenyl)piperidine-3-carboxamide CAS Name: (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2,6-diethylphenyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2,6-diethylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(3-chloro-4-methoxy-phenyl)sulfonyl-N-(2,6-diethylphenyl)nipecotamide Formula: C23H29ClN2O4S MolecularWeight: 465.00536

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C23H29ClN2O4S/c1-4-16-8-6-9-17(5-2)22(16)25-23(27)18-10-7-13-26(15-18)31(28,29)19-11-12-21(30-3)20(24)14-19/h6,8-9,11-12,14,18H,4-5,7,10,13,15H2,1-3H3,(H,25,27)/t18-/m0/s1