N-[(4-chlorophenyl)methyl]-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline

Systemtic Name: N-[(4-chlorophenyl)methyl]-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline Openeye Name: N-[(4-chlorophenyl)methyl]-2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]aniline CAS Name: N-[(4-chlorophenyl)methyl]-5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitroaniline IUPAC Name: N-[(4-chlorophenyl)methyl]-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline Traditional Name: (4-chlorobenzyl)-[2-nitro-5-(4-tosylpiperazino)phenyl]amine Formula: C24H25ClN4O4S MolecularWeight: 500.9977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4O4S/c1-18-2-9-22(10-3-18)34(32,33)28-14-12-27(13-15-28)21-8-11-24(29(30)31)23(16-21)26-17-19-4-6-20(25)7-5-19/h2-11,16,26H,12-15,17H2,1H3