[2-(methylamino)-5-nitro-phenyl]-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [2-(methylamino)-5-nitro-phenyl]-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: [2-(methylamino)-5-nitro-phenyl]-[4-(2-naphthylsulfonyl)piperazin-1-yl]methanone CAS Name: [2-(methylamino)-5-nitrophenyl]-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]methanone IUPAC Name: [2-(methylamino)-5-nitrophenyl]-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: [2-(methylamino)-5-nitro-phenyl]-[4-(2-naphthylsulfonyl)piperazino]methanone Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H22N4O5S/c1-23-21-9-7-18(26(28)29)15-20(21)22(27)24-10-12-25(13-11-24)32(30,31)19-8-6-16-4-2-3-5-17(16)14-19/h2-9,14-15,23H,10-13H2,1H3