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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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