N-(4-butylphenyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(4-butylphenyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(4-butylphenyl)-1-(m-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-(4-butylphenyl)-1-[(3-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(4-butylphenyl)-1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-(4-butylphenyl)-1-(3-methylbenzyl)sulfonyl-isonipecotamide Formula: C24H32N2O3S MolecularWeight: 428.58748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC(=C3)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC(=C3)C

InChI

InChI=1S/C24H32N2O3S/c1-3-4-7-20-9-11-23(12-10-20)25-24(27)22-13-15-26(16-14-22)30(28,29)18-21-8-5-6-19(2)17-21/h5-6,8-12,17,22H,3-4,7,13-16,18H2,1-2H3,(H,25,27)