N1-(4-methoxyquinolin-2-yl)-N3-[[1-(phenylsulfonyl)indol-3-yl]methyl]cyclohexane-1,3-diamine

Systemtic Name: N1-(4-methoxyquinolin-2-yl)-N3-[[1-(phenylsulfonyl)indol-3-yl]methyl]cyclohexane-1,3-diamine Openeye Name: N3-[[1-(benzenesulfonyl)indol-3-yl]methyl]-N1-(4-methoxy-2-quinolyl)cyclohexane-1,3-diamine CAS Name: N3-[[1-(benzenesulfonyl)-3-indolyl]methyl]-N1-(4-methoxy-2-quinolinyl)cyclohexane-1,3-diamine IUPAC Name: 3-N-[[1-(benzenesulfonyl)indol-3-yl]methyl]-1-N-(4-methoxyquinolin-2-yl)cyclohexane-1,3-diamine Traditional Name: (1-besylindol-3-yl)methyl-[3-[(4-methoxy-2-quinolyl)amino]cyclohexyl]amine Formula: C31H32N4O3S MolecularWeight: 540.67578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC2=CC=CC=C21)NC3CCCC(C3)NCC4=CN(C5=CC=CC=C54)S(=O)(=O)C6=CC=CC=C6

Isomeric SMILES

COC1=CC(=NC2=CC=CC=C21)NC3CCCC(C3)NCC4=CN(C5=CC=CC=C54)S(=O)(=O)C6=CC=CC=C6

InChI

InChI=1S/C31H32N4O3S/c1-38-30-19-31(34-28-16-7-5-15-27(28)30)33-24-11-9-10-23(18-24)32-20-22-21-35(29-17-8-6-14-26(22)29)39(36,37)25-12-3-2-4-13-25/h2-8,12-17,19,21,23-24,32H,9-11,18,20H2,1H3,(H,33,34)