N4-(7-chloranylquinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine; 2-methyl-4-oxidanyl-5-propan-2-yl-benzenesulfonic acid

Systemtic Name: N4-(7-chloranylquinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine; 2-methyl-4-oxidanyl-5-propan-2-yl-benzenesulfonic acid Openeye Name: N4-(7-chloro-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine; 4-hydroxy-5-isopropyl-2-methyl-benzenesulfonic acid CAS Name: N4-(7-chloro-4-quinolinyl)-N1,N1-diethylpentane-1,4-diamine; 4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid IUPAC Name: 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine; 4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid Traditional Name: 4-[(7-chloro-4-quinolyl)amino]pentyl-diethyl-amine; 4-hydroxy-5-isopropyl-2-methyl-besylic acid Formula: C28H40ClN3O4S MolecularWeight: 550.1529

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.CC1=CC(=C(C=C1S(=O)(=O)O)C(C)C)O

Isomeric SMILES

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.CC1=CC(=C(C=C1S(=O)(=O)O)C(C)C)O

InChI

InChI=1S/C18H26ClN3.C10H14O4S/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;1-6(2)8-5-10(15(12,13)14)7(3)4-9(8)11/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);4-6,11H,1-3H3,(H,12,13,14)