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

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-(4-methanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-(4-formylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(3,4-dimethoxyphenyl)-4-[(4-formyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-(4-formylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-(4-formylpiperazino)sulfonyl-benzamide Formula: C20H23N3O6S MolecularWeight: 433.47812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C=O)OC

InChI

InChI=1S/C20H23N3O6S/c1-28-18-8-5-16(13-19(18)29-2)21-20(25)15-3-6-17(7-4-15)30(26,27)23-11-9-22(14-24)10-12-23/h3-8,13-14H,9-12H2,1-2H3,(H,21,25)