[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-(2-methyl-3-nitro-phenyl)azanium

Systemtic Name: [2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-(2-methyl-3-nitro-phenyl)azanium Openeye Name: [2-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-(2-methyl-3-nitro-phenyl)ammonium CAS Name: [2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-oxoethyl]-(2-methyl-3-nitrophenyl)ammonium IUPAC Name: [2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-(2-methyl-3-nitrophenyl)azanium Traditional Name: [2-(4-indan-5-ylsulfonylpiperazino)-2-keto-ethyl]-(2-methyl-3-nitro-phenyl)ammonium Formula: C22H27N4O5S+ MolecularWeight: 459.53858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5S/c1-16-20(6-3-7-21(16)26(28)29)23-15-22(27)24-10-12-25(13-11-24)32(30,31)19-9-8-17-4-2-5-18(17)14-19/h3,6-9,14,23H,2,4-5,10-13,15H2,1H3/p+1