N-(2,5-dimethylphenyl)-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(2,5-dimethylphenyl)-4-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(2,5-dimethylphenyl)-4-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(2,5-dimethylphenyl)-4-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(2,5-dimethylphenyl)-4-(3-ketopiperazino)sulfonyl-benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCNC(=O)C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCNC(=O)C3

InChI

InChI=1S/C19H21N3O4S/c1-13-3-4-14(2)17(11-13)21-19(24)15-5-7-16(8-6-15)27(25,26)22-10-9-20-18(23)12-22/h3-8,11H,9-10,12H2,1-2H3,(H,20,23)(H,21,24)