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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]aniline Openeye Name: 5-(4-benzylsulfonylpiperazin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-aniline CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]aniline IUPAC Name: 5-(4-benzylsulfonylpiperazin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline Traditional Name: [5-(4-benzylsulfonylpiperazino)-2-nitro-phenyl]-homoveratryl-amine Formula: C27H32N4O6S MolecularWeight: 540.63118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C27H32N4O6S/c1-36-26-11-8-21(18-27(26)37-2)12-13-28-24-19-23(9-10-25(24)31(32)33)29-14-16-30(17-15-29)38(34,35)20-22-6-4-3-5-7-22/h3-11,18-19,28H,12-17,20H2,1-2H3