N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[3-(isobutyrylamino)benzyl]-3-pyrrolidinosulfonyl-benzamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H27N3O4S/c1-16(2)21(26)24-19-9-5-7-17(13-19)15-23-22(27)18-8-6-10-20(14-18)30(28,29)25-11-3-4-12-25/h5-10,13-14,16H,3-4,11-12,15H2,1-2H3,(H,23,27)(H,24,26)