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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-aniline Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-aniline CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-ethylsulfonyl-1-piperazinyl)-2-nitroaniline IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-ethylsulfonylpiperazin-1-yl)-2-nitroaniline Traditional Name: [5-(4-esylpiperazino)-2-nitro-phenyl]-homoveratryl-amine Formula: C22H30N4O6S MolecularWeight: 478.5618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H30N4O6S/c1-4-33(29,30)25-13-11-24(12-14-25)18-6-7-20(26(27)28)19(16-18)23-10-9-17-5-8-21(31-2)22(15-17)32-3/h5-8,15-16,23H,4,9-14H2,1-3H3