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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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