(3S)-N-(4-butylphenyl)-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-butylphenyl)-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-butylphenyl)-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: (3S)-N-(4-butylphenyl)-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-butylphenyl)-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-butylphenyl)-1-mesyl-nipecotamide Formula: C17H26N2O3S MolecularWeight: 338.46494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3S/c1-3-4-6-14-8-10-16(11-9-14)18-17(20)15-7-5-12-19(13-15)23(2,21)22/h8-11,15H,3-7,12-13H2,1-2H3,(H,18,20)/t15-/m0/s1