5-[4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(phenylmethyl)aniline

Systemtic Name: 5-[4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-5-[4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-yl]-2-nitro-aniline CAS Name: 5-[4-[4-(methylthio)phenyl]sulfonyl-1-piperazinyl]-2-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-5-[4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-yl]-2-nitroaniline Traditional Name: benzyl-[5-[4-[4-(methylthio)phenyl]sulfonylpiperazino]-2-nitro-phenyl]amine Formula: C24H26N4O4S2 MolecularWeight: 498.61764

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O4S2/c1-33-21-8-10-22(11-9-21)34(31,32)27-15-13-26(14-16-27)20-7-12-24(28(29)30)23(17-20)25-18-19-5-3-2-4-6-19/h2-12,17,25H,13-16,18H2,1H3