N-[3-(2-methylpropanoylamino)phenyl]-4-(prop-2-ynylsulfamoyl)benzamide

Systemtic Name: N-[3-(2-methylpropanoylamino)phenyl]-4-(prop-2-ynylsulfamoyl)benzamide Openeye Name: N-[3-(2-methylpropanoylamino)phenyl]-4-(prop-2-ynylsulfamoyl)benzamide CAS Name: N-[3-[(2-methyl-1-oxopropyl)amino]phenyl]-4-(prop-2-ynylsulfamoyl)benzamide IUPAC Name: N-[3-(2-methylpropanoylamino)phenyl]-4-(prop-2-ynylsulfamoyl)benzamide Traditional Name: N-[3-(isobutyrylamino)phenyl]-4-(propargylsulfamoyl)benzamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-4-12-21-28(26,27)18-10-8-15(9-11-18)20(25)23-17-7-5-6-16(13-17)22-19(24)14(2)3/h1,5-11,13-14,21H,12H2,2-3H3,(H,22,24)(H,23,25)