[4-(methylamino)-3-nitro-phenyl]-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [4-(methylamino)-3-nitro-phenyl]-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-[4-(methylamino)-3-nitro-phenyl]methanone CAS Name: [4-(methylamino)-3-nitrophenyl]-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-[4-(methylamino)-3-nitrophenyl]methanone Traditional Name: (4-benzylsulfonylpiperazino)-[4-(methylamino)-3-nitro-phenyl]methanone Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O5S/c1-20-17-8-7-16(13-18(17)23(25)26)19(24)21-9-11-22(12-10-21)29(27,28)14-15-5-3-2-4-6-15/h2-8,13,20H,9-12,14H2,1H3