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

Systemtic Name: N-cyclopropyl-5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline Openeye Name: N-cyclopropyl-5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline CAS Name: N-cyclopropyl-5-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-nitroaniline IUPAC Name: N-cyclopropyl-5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline Traditional Name: cyclopropyl-[5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-2-nitro-phenyl]amine Formula: C21H26N4O6S MolecularWeight: 462.51934

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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-])NC4CC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC4CC4)OC

InChI

InChI=1S/C21H26N4O6S/c1-30-20-8-6-17(14-21(20)31-2)32(28,29)24-11-9-23(10-12-24)16-5-7-19(25(26)27)18(13-16)22-15-3-4-15/h5-8,13-15,22H,3-4,9-12H2,1-2H3