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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl

InChI

InChI=1S/C23H29ClN2O4S/c1-3-4-6-17-8-10-19(11-9-17)25-23(27)18-7-5-14-26(16-18)31(28,29)20-12-13-22(30-2)21(24)15-20/h8-13,15,18H,3-7,14,16H2,1-2H3,(H,25,27)/t18-/m0/s1