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

Systemtic Name: N-cyclopropyl-5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline Openeye Name: N-cyclopropyl-5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline CAS Name: N-cyclopropyl-5-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-nitroaniline IUPAC Name: N-cyclopropyl-5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline Traditional Name: cyclopropyl-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-nitro-phenyl]amine Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC4CC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC4CC4)C

InChI

InChI=1S/C21H26N4O4S/c1-15-3-7-19(13-16(15)2)30(28,29)24-11-9-23(10-12-24)18-6-8-21(25(26)27)20(14-18)22-17-4-5-17/h3,6-8,13-14,17,22H,4-5,9-12H2,1-2H3