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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-5-[4-(phenylsulfonyl)piperazin-1-yl]aniline Openeye Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitro-aniline CAS Name: 5-[4-(benzenesulfonyl)-1-piperazinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline IUPAC Name: 5-[4-(benzenesulfonyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-nitroaniline Traditional Name: [5-(4-besylpiperazino)-2-nitro-phenyl]-homoveratryl-amine Formula: C26H30N4O6S MolecularWeight: 526.6046

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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