N-butyl-2-[3-(phenylmethyl)sulfonylpropanoylamino]benzamide

Systemtic Name: N-butyl-2-[3-(phenylmethyl)sulfonylpropanoylamino]benzamide Openeye Name: 2-(3-benzylsulfonylpropanoylamino)-N-butyl-benzamide CAS Name: N-butyl-2-[[1-oxo-3-(phenylmethyl)sulfonylpropyl]amino]benzamide IUPAC Name: 2-(3-benzylsulfonylpropanoylamino)-N-butylbenzamide Traditional Name: 2-(3-benzylsulfonylpropanoylamino)-N-butyl-benzamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=O)CCS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=O)CCS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O4S/c1-2-3-14-22-21(25)18-11-7-8-12-19(18)23-20(24)13-15-28(26,27)16-17-9-5-4-6-10-17/h4-12H,2-3,13-16H2,1H3,(H,22,25)(H,23,24)