N-[(2,4-dimethylphenyl)methyl]-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-4-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[(2,4-dimethylphenyl)methyl]-4-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[(2,4-dimethylphenyl)methyl]-4-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(2,4-dimethylbenzyl)-4-(3-ketopiperazino)sulfonyl-benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-14-3-4-17(15(2)11-14)12-22-20(25)16-5-7-18(8-6-16)28(26,27)23-10-9-21-19(24)13-23/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,24)(H,22,25)