N2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-N5-[(3-methylsulfonylphenyl)methyl]quinoline-2,5-diamine

Systemtic Name: N2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-N5-[(3-methylsulfonylphenyl)methyl]quinoline-2,5-diamine Openeye Name: N2-(6-methoxyindan-1-yl)-N5-[(3-methylsulfonylphenyl)methyl]quinoline-2,5-diamine CAS Name: N2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-N5-[(3-methylsulfonylphenyl)methyl]quinoline-2,5-diamine IUPAC Name: 2-N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-5-N-[(3-methylsulfonylphenyl)methyl]quinoline-2,5-diamine Traditional Name: (3-mesylbenzyl)-[2-[(6-methoxyindan-1-yl)amino]-5-quinolyl]amine Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCC2NC3=NC4=C(C=C3)C(=CC=C4)NCC5=CC(=CC=C5)S(=O)(=O)C)C=C1

Isomeric SMILES

COC1=CC2=C(CCC2NC3=NC4=C(C=C3)C(=CC=C4)NCC5=CC(=CC=C5)S(=O)(=O)C)C=C1

InChI

InChI=1S/C27H27N3O3S/c1-33-20-11-9-19-10-13-26(23(19)16-20)30-27-14-12-22-24(7-4-8-25(22)29-27)28-17-18-5-3-6-21(15-18)34(2,31)32/h3-9,11-12,14-16,26,28H,10,13,17H2,1-2H3,(H,29,30)