N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide

Systemtic Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide Openeye Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide CAS Name: N-[[3-[(2-methyl-1-oxopropyl)amino]phenyl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide IUPAC Name: N-[[3-(2-methylpropanoylamino)phenyl]methyl]-3-(prop-2-ynylsulfamoyl)benzamide Traditional Name: N-[3-(isobutyrylamino)benzyl]-3-(propargylsulfamoyl)benzamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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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)NCC#C

Isomeric SMILES

CC(C)C(=O)NC1=CC=CC(=C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C

InChI

InChI=1S/C21H23N3O4S/c1-4-11-23-29(27,28)19-10-6-8-17(13-19)21(26)22-14-16-7-5-9-18(12-16)24-20(25)15(2)3/h1,5-10,12-13,15,23H,11,14H2,2-3H3,(H,22,26)(H,24,25)