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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitro-aniline Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-nitro-aniline CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-nitroaniline IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-nitroaniline Traditional Name: homoveratryl-[5-[4-(2-naphthylsulfonyl)piperazino]-2-nitro-phenyl]amine Formula: C30H32N4O6S MolecularWeight: 576.66328

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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=CC5=CC=CC=C5C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C30H32N4O6S/c1-39-29-12-7-22(19-30(29)40-2)13-14-31-27-21-25(9-11-28(27)34(35)36)32-15-17-33(18-16-32)41(37,38)26-10-8-23-5-3-4-6-24(23)20-26/h3-12,19-21,31H,13-18H2,1-2H3