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

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[(2-methyl-3-nitro-phenyl)amino]ethanone Openeye Name: 1-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-(2-methyl-3-nitro-anilino)ethanone CAS Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-(2-methyl-3-nitroanilino)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(2-methyl-3-nitroanilino)ethanone Traditional Name: 1-(4-indan-5-ylsulfonylpiperazino)-2-(2-methyl-3-nitro-anilino)ethanone Formula: C22H26N4O5S MolecularWeight: 458.53064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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