N-[4-(2-methylpropanoylamino)phenyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[4-(2-methylpropanoylamino)phenyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[4-(2-methylpropanoylamino)phenyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[4-(2-methylpropanoylamino)phenyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[4-(isobutyrylamino)phenyl]-3-(3-ketopiperazino)sulfonyl-benzamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C21H24N4O5S/c1-14(2)20(27)23-16-6-8-17(9-7-16)24-21(28)15-4-3-5-18(12-15)31(29,30)25-11-10-22-19(26)13-25/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,26)(H,23,27)(H,24,28)