N-(6-methoxyquinolin-8-yl)-N'-propan-2-yl-pentane-1,5-diamine; 2-methyl-4-oxidanyl-5-propan-2-yl-benzenesulfonic acid

Systemtic Name: N-(6-methoxyquinolin-8-yl)-N'-propan-2-yl-pentane-1,5-diamine; 2-methyl-4-oxidanyl-5-propan-2-yl-benzenesulfonic acid Openeye Name: 4-hydroxy-5-isopropyl-2-methyl-benzenesulfonic acid; N'-isopropyl-N-(6-methoxy-8-quinolyl)pentane-1,5-diamine CAS Name: 4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid; N-(6-methoxy-8-quinolinyl)-N'-propan-2-ylpentane-1,5-diamine IUPAC Name: 4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid; N-(6-methoxyquinolin-8-yl)-N'-propan-2-ylpentane-1,5-diamine Traditional Name: 4-hydroxy-5-isopropyl-2-methyl-besylic acid; isopropyl-[5-[(6-methoxy-8-quinolyl)amino]pentyl]amine Formula: C28H41N3O5S MolecularWeight: 531.70724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)O)C(C)C)O.CC(C)NCCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)O)C(C)C)O.CC(C)NCCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2

InChI

InChI=1S/C18H27N3O.C10H14O4S/c1-14(2)19-9-5-4-6-10-20-17-13-16(22-3)12-15-8-7-11-21-18(15)17;1-6(2)8-5-10(15(12,13)14)7(3)4-9(8)11/h7-8,11-14,19-20H,4-6,9-10H2,1-3H3;4-6,11H,1-3H3,(H,12,13,14)