(4-chloranyl-3-nitro-phenyl)-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-chloranyl-3-nitro-phenyl)-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: (4-chloro-3-nitro-phenyl)-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]ammonium CAS Name: (4-chloro-3-nitrophenyl)-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: (4-chloro-3-nitrophenyl)-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl]azanium Traditional Name: (4-chloro-3-nitro-phenyl)-[2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl]ammonium Formula: C22H22ClN4O5S+ MolecularWeight: 489.95188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C[NH2+]C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C(=O)C[NH2+]C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H21ClN4O5S/c23-20-8-6-18(14-21(20)27(29)30)24-15-22(28)25-9-11-26(12-10-25)33(31,32)19-7-5-16-3-1-2-4-17(16)13-19/h1-8,13-14,24H,9-12,15H2/p+1