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

Systemtic Name: 5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline CAS Name: 5-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline Traditional Name: benzyl-[5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-2-nitro-phenyl]amine Formula: C25H28N4O6S MolecularWeight: 512.57802

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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-])NCC4=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-])NCC4=CC=CC=C4)OC

InChI

InChI=1S/C25H28N4O6S/c1-34-24-11-9-21(17-25(24)35-2)36(32,33)28-14-12-27(13-15-28)20-8-10-23(29(30)31)22(16-20)26-18-19-6-4-3-5-7-19/h3-11,16-17,26H,12-15,18H2,1-2H3