2-chloranyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-[3-(isobutyrylamino)benzyl]-5-pyrrolidinosulfonyl-benzamide Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O4S/c1-15(2)21(27)25-17-7-5-6-16(12-17)14-24-22(28)19-13-18(8-9-20(19)23)31(29,30)26-10-3-4-11-26/h5-9,12-13,15H,3-4,10-11,14H2,1-2H3,(H,24,28)(H,25,27)