(3S)-N-(4-butylphenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-butylphenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-butylphenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(4-butylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-butylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-butylphenyl)-1-(2-methoxy-5-methyl-phenyl)sulfonyl-nipecotamide Formula: C24H32N2O4S MolecularWeight: 444.58688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O4S/c1-4-5-7-19-10-12-21(13-11-19)25-24(27)20-8-6-15-26(17-20)31(28,29)23-16-18(2)9-14-22(23)30-3/h9-14,16,20H,4-8,15,17H2,1-3H3,(H,25,27)/t20-/m0/s1