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

Systemtic Name: 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitro-aniline Openeye Name: 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitro-aniline CAS Name: 5-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-ethyl-2-nitroaniline IUPAC Name: 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-ethyl-2-nitroaniline Traditional Name: [5-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-nitro-phenyl]-ethyl-amine Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4S/c1-4-21-19-14-17(6-8-20(19)24(25)26)22-9-11-23(12-10-22)29(27,28)18-7-5-15(2)16(3)13-18/h5-8,13-14,21H,4,9-12H2,1-3H3