[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [4-(2-nitrophenyl)piperazin-1-yl]-[(2S)-1-(p-tolylsulfonyl)pyrrolidin-2-yl]methanone CAS Name: [(2S)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-[4-(2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [4-(2-nitrophenyl)piperazino]-[(2S)-1-tosylpyrrolidin-2-yl]methanone Formula: C22H26N4O5S MolecularWeight: 458.53064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5S/c1-17-8-10-18(11-9-17)32(30,31)25-12-4-7-21(25)22(27)24-15-13-23(14-16-24)19-5-2-3-6-20(19)26(28)29/h2-3,5-6,8-11,21H,4,7,12-16H2,1H3/t21-/m0/s1