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

Systemtic Name: 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline CAS Name: 5-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline Traditional Name: benzyl-[5-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-nitro-phenyl]amine Formula: C25H28N4O4S MolecularWeight: 480.57922

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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-])NCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4)C

InChI

InChI=1S/C25H28N4O4S/c1-19-8-10-23(16-20(19)2)34(32,33)28-14-12-27(13-15-28)22-9-11-25(29(30)31)24(17-22)26-18-21-6-4-3-5-7-21/h3-11,16-17,26H,12-15,18H2,1-2H3