N-methyl-N-[(4-methylphenyl)methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-methyl-N-[(4-methylphenyl)methyl]-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-methyl-3-(3-oxopiperazin-1-yl)sulfonyl-N-(p-tolylmethyl)benzamide CAS Name: N-methyl-N-[(4-methylphenyl)methyl]-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-methyl-N-[(4-methylphenyl)methyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: 3-(3-ketopiperazino)sulfonyl-N-methyl-N-(4-methylbenzyl)benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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