N-(4-butylphenyl)-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-(4-butylphenyl)-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-(4-butylphenyl)piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-(4-butylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-(4-butylphenyl)piperidine-4-carboxamide Traditional Name: 1-besyl-N-(4-butylphenyl)isonipecotamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S/c1-2-3-7-18-10-12-20(13-11-18)23-22(25)19-14-16-24(17-15-19)28(26,27)21-8-5-4-6-9-21/h4-6,8-13,19H,2-3,7,14-17H2,1H3,(H,23,25)