N-(2,6-dimethylphenyl)-4-(4-methanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(2,6-dimethylphenyl)-4-(4-methanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(2,6-dimethylphenyl)-4-(4-formylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(2,6-dimethylphenyl)-4-[(4-formyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(2,6-dimethylphenyl)-4-(4-formylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(2,6-dimethylphenyl)-4-(4-formylpiperazino)sulfonyl-benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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