1-(4-tert-butylphenyl)sulfonyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-tert-butylphenyl)sulfonyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(4-tert-butylphenyl)sulfonyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-(4-tert-butylphenyl)sulfonyl-N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-tert-butylphenyl)sulfonyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-(4-tert-butylphenyl)sulfonyl-N-[3-(isobutyrylamino)benzyl]isonipecotamide Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H37N3O4S/c1-19(2)25(31)29-23-8-6-7-20(17-23)18-28-26(32)21-13-15-30(16-14-21)35(33,34)24-11-9-22(10-12-24)27(3,4)5/h6-12,17,19,21H,13-16,18H2,1-5H3,(H,28,32)(H,29,31)