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

Systemtic Name: N-methyl-2-nitro-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]aniline Openeye Name: 5-(4-benzylsulfonylpiperazin-1-yl)-N-methyl-2-nitro-aniline CAS Name: N-methyl-2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]aniline IUPAC Name: 5-(4-benzylsulfonylpiperazin-1-yl)-N-methyl-2-nitroaniline Traditional Name: [5-(4-benzylsulfonylpiperazino)-2-nitro-phenyl]-methyl-amine Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=CC(=C1)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4S/c1-19-17-13-16(7-8-18(17)22(23)24)20-9-11-21(12-10-20)27(25,26)14-15-5-3-2-4-6-15/h2-8,13,19H,9-12,14H2,1H3