5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(pyridin-3-ylmethyl)aniline

Systemtic Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(pyridin-3-ylmethyl)aniline Openeye Name: 2-nitro-5-[4-(p-tolylsulfonyl)piperazin-1-yl]-N-(3-pyridylmethyl)aniline CAS Name: 5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-nitro-N-(3-pyridinylmethyl)aniline IUPAC Name: 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-nitro-N-(pyridin-3-ylmethyl)aniline Traditional Name: [2-nitro-5-(4-tosylpiperazino)phenyl]-(3-pyridylmethyl)amine Formula: C23H25N5O4S MolecularWeight: 467.5407

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O4S/c1-18-4-7-21(8-5-18)33(31,32)27-13-11-26(12-14-27)20-6-9-23(28(29)30)22(15-20)25-17-19-3-2-10-24-16-19/h2-10,15-16,25H,11-14,17H2,1H3