N-(5-chloranyl-2,4-dimethoxy-phenyl)-6-pyrrolidin-1-ylsulfonyl-quinolin-2-amine

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-6-pyrrolidin-1-ylsulfonyl-quinolin-2-amine Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-6-pyrrolidin-1-ylsulfonyl-quinolin-2-amine CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-(1-pyrrolidinylsulfonyl)-2-quinolinamine IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-6-pyrrolidin-1-ylsulfonylquinolin-2-amine Traditional Name: (5-chloro-2,4-dimethoxy-phenyl)-(6-pyrrolidinosulfonyl-2-quinolyl)amine Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC2=NC3=C(C=C2)C=C(C=C3)S(=O)(=O)N4CCCC4)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC2=NC3=C(C=C2)C=C(C=C3)S(=O)(=O)N4CCCC4)Cl)OC

InChI

InChI=1S/C21H22ClN3O4S/c1-28-19-13-20(29-2)18(12-16(19)22)24-21-8-5-14-11-15(6-7-17(14)23-21)30(26,27)25-9-3-4-10-25/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,23,24)