N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-homoveratryl-piperazine-1-carboxamide Formula: C23H31N3O5S MolecularWeight: 461.57434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H31N3O5S/c1-17-5-6-18(2)22(15-17)32(28,29)26-13-11-25(12-14-26)23(27)24-10-9-19-7-8-20(30-3)21(16-19)31-4/h5-8,15-16H,9-14H2,1-4H3,(H,24,27)