N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide Traditional Name: N-homoveratryl-3-[(4-mesylpiperazino)methyl]benzamide Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=CC=C2)CN3CCN(CC3)S(=O)(=O)C)OC

InChI

InChI=1S/C23H31N3O5S/c1-30-21-8-7-18(16-22(21)31-2)9-10-24-23(27)20-6-4-5-19(15-20)17-25-11-13-26(14-12-25)32(3,28)29/h4-8,15-16H,9-14,17H2,1-3H3,(H,24,27)