N-[2-methyl-3-(propanoylamino)phenyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-methyl-3-(propanoylamino)phenyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[2-methyl-3-(propanoylamino)phenyl]-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[2-methyl-3-(1-oxopropylamino)phenyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[2-methyl-3-(propanoylamino)phenyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-(2-methyl-3-propionamido-phenyl)benzamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C21H24N4O5S/c1-3-19(26)23-17-8-5-9-18(14(17)2)24-21(28)15-6-4-7-16(12-15)31(29,30)25-11-10-22-20(27)13-25/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,27)(H,23,26)(H,24,28)