1-(3-methylphenyl)-4-[[4-(4-nitrophenyl)cyclohexyl]amino]butan-1-one sulfate

Systemtic Name: 1-(3-methylphenyl)-4-[[4-(4-nitrophenyl)cyclohexyl]amino]butan-1-one sulfate Openeye Name: 1-(m-tolyl)-4-[[4-(4-nitrophenyl)cyclohexyl]amino]butan-1-one sulfate CAS Name: 1-(3-methylphenyl)-4-[[4-(4-nitrophenyl)cyclohexyl]amino]-1-butanone sulfate IUPAC Name: 1-(3-methylphenyl)-4-[[4-(4-nitrophenyl)cyclohexyl]amino]butan-1-one sulfate Traditional Name: 1-(m-tolyl)-4-[[4-(4-nitrophenyl)cyclohexyl]amino]butan-1-one sulfate Formula: C23H28N2O7S-2 MolecularWeight: 476.54262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)CCCNC2CCC(CC2)C3=CC=C(C=C3)[N+](=O)[O-].[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)CCCNC2CCC(CC2)C3=CC=C(C=C3)[N+](=O)[O-].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C23H28N2O3.H2O4S/c1-17-4-2-5-20(16-17)23(26)6-3-15-24-21-11-7-18(8-12-21)19-9-13-22(14-10-19)25(27)28;1-5(2,3)4/h2,4-5,9-10,13-14,16,18,21,24H,3,6-8,11-12,15H2,1H3;(H2,1,2,3,4)/p-2