5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-phenethyl-aniline

Systemtic Name: 5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-phenethyl-aniline Openeye Name: 5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-phenethyl-aniline CAS Name: 5-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-nitro-N-phenethylaniline IUPAC Name: 5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-phenethylaniline Traditional Name: [5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-2-nitro-phenyl]-phenethyl-amine Formula: C26H30N4O6S MolecularWeight: 526.6046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCCC4=CC=CC=C4)OC

InChI

InChI=1S/C26H30N4O6S/c1-35-25-11-9-22(19-26(25)36-2)37(33,34)29-16-14-28(15-17-29)21-8-10-24(30(31)32)23(18-21)27-13-12-20-6-4-3-5-7-20/h3-11,18-19,27H,12-17H2,1-2H3