N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-morpholinosulfonyl-benzamide CAS Name: N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[3-(isobutyrylamino)benzyl]-3-morpholinosulfonyl-benzamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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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)N3CCOCC3

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H27N3O5S/c1-16(2)21(26)24-19-7-3-5-17(13-19)15-23-22(27)18-6-4-8-20(14-18)31(28,29)25-9-11-30-12-10-25/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,23,27)(H,24,26)