4-azanylbenzenesulfonic acid; N4-(7-chloranylquinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine

Systemtic Name: 4-azanylbenzenesulfonic acid; N4-(7-chloranylquinolin-4-yl)-N1,N1-diethyl-pentane-1,4-diamine Openeye Name: 4-aminobenzenesulfonic acid; N4-(7-chloro-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine CAS Name: 4-aminobenzenesulfonic acid; N4-(7-chloro-4-quinolinyl)-N1,N1-diethylpentane-1,4-diamine IUPAC Name: 4-aminobenzenesulfonic acid; 4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine Traditional Name: 4-aminobesylic acid; 4-[(7-chloro-4-quinolyl)amino]pentyl-diethyl-amine Formula: C24H33ClN4O3S MolecularWeight: 493.06182

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.C1=CC(=CC=C1N)S(=O)(=O)O

Isomeric SMILES

CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.C1=CC(=CC=C1N)S(=O)(=O)O

InChI

InChI=1S/C18H26ClN3.C6H7NO3S/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;7-5-1-3-6(4-2-5)11(8,9)10/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);1-4H,7H2,(H,8,9,10)