N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide Formula: C25H33N3O6S MolecularWeight: 503.61102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)C)OCC

InChI

InChI=1S/C25H33N3O6S/c1-4-33-23-10-9-20(17-24(23)34-5-2)11-12-26-25(30)21-7-6-8-22(18-21)35(31,32)28-15-13-27(14-16-28)19(3)29/h6-10,17-18H,4-5,11-16H2,1-3H3,(H,26,30)