[(4-chlorophenyl)methylamino] 2-tert-butyl-5-chloranyl-8-methoxy-quinoline-7-sulfinate

Systemtic Name: [(4-chlorophenyl)methylamino] 2-tert-butyl-5-chloranyl-8-methoxy-quinoline-7-sulfinate Openeye Name: [(4-chlorophenyl)methylamino] 2-tert-butyl-5-chloro-8-methoxy-quinoline-7-sulfinate CAS Name: 2-tert-butyl-5-chloro-8-methoxy-7-quinolinesulfinic acid [(4-chlorophenyl)methylamino] ester IUPAC Name: [(4-chlorophenyl)methylamino] 2-tert-butyl-5-chloro-8-methoxyquinoline-7-sulfinate Traditional Name: 2-tert-butyl-5-chloro-8-methoxy-quinoline-7-sulfinic acid [(4-chlorobenzyl)amino] ester Formula: C21H22Cl2N2O3S MolecularWeight: 453.38198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=CC(=C2C=C1)Cl)S(=O)ONCC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=CC(=C2C=C1)Cl)S(=O)ONCC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C21H22Cl2N2O3S/c1-21(2,3)18-10-9-15-16(23)11-17(20(27-4)19(15)25-18)29(26)28-24-12-13-5-7-14(22)8-6-13/h5-11,24H,12H2,1-4H3