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

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-oxidanylidenepiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-[(3-oxo-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-oxopiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(2,4-dimethylbenzyl)-3-(3-ketopiperazino)sulfonyl-N-methyl-benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O4S/c1-15-7-8-18(16(2)11-15)13-23(3)21(26)17-5-4-6-19(12-17)29(27,28)24-10-9-22-20(25)14-24/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,22,25)