(3-imidazol-1-ylpropylamino) 5-chloranyl-2-methyl-8-oxidanyl-quinoline-7-sulfinate

Systemtic Name: (3-imidazol-1-ylpropylamino) 5-chloranyl-2-methyl-8-oxidanyl-quinoline-7-sulfinate Openeye Name: (3-imidazol-1-ylpropylamino) 5-chloro-8-hydroxy-2-methyl-quinoline-7-sulfinate CAS Name: 5-chloro-8-hydroxy-2-methyl-7-quinolinesulfinic acid [3-(1-imidazolyl)propylamino] ester IUPAC Name: (3-imidazol-1-ylpropylamino) 5-chloro-8-hydroxy-2-methylquinoline-7-sulfinate Traditional Name: 5-chloro-8-hydroxy-2-methyl-quinoline-7-sulfinic acid (3-imidazol-1-ylpropylamino) ester Formula: C16H17ClN4O3S MolecularWeight: 380.84918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=CC(=C2C=C1)Cl)S(=O)ONCCCN3C=CN=C3)O

Isomeric SMILES

CC1=NC2=C(C(=CC(=C2C=C1)Cl)S(=O)ONCCCN3C=CN=C3)O

InChI

InChI=1S/C16H17ClN4O3S/c1-11-3-4-12-13(17)9-14(16(22)15(12)20-11)25(23)24-19-5-2-7-21-8-6-18-10-21/h3-4,6,8-10,19,22H,2,5,7H2,1H3