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

Systemtic Name: N-(3,5-dimethylphenyl)-4-(4-methanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(3,5-dimethylphenyl)-4-[(4-formyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(3,5-dimethylphenyl)-4-(4-formylpiperazino)sulfonyl-benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C=O)C

InChI

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