N-[(6-chloranyl-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]-2,5-dimethoxy-benzenesulfonamide

Systemtic Name: N-[(6-chloranyl-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]-2,5-dimethoxy-benzenesulfonamide Openeye Name: N-[(6-chloro-4-pyrrolidin-1-yl-quinazolin-2-yl)methyl]-2,5-dimethoxy-benzenesulfonamide CAS Name: N-[[6-chloro-4-(1-pyrrolidinyl)-2-quinazolinyl]methyl]-2,5-dimethoxybenzenesulfonamide IUPAC Name: N-[(6-chloro-4-pyrrolidin-1-ylquinazolin-2-yl)methyl]-2,5-dimethoxybenzenesulfonamide Traditional Name: N-[(6-chloro-4-pyrrolidino-quinazolin-2-yl)methyl]-2,5-dimethoxy-benzenesulfonamide Formula: C21H23ClN4O4S MolecularWeight: 462.94972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)NCC2=NC3=C(C=C(C=C3)Cl)C(=N2)N4CCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)NCC2=NC3=C(C=C(C=C3)Cl)C(=N2)N4CCCC4

InChI

InChI=1S/C21H23ClN4O4S/c1-29-15-6-8-18(30-2)19(12-15)31(27,28)23-13-20-24-17-7-5-14(22)11-16(17)21(25-20)26-9-3-4-10-26/h5-8,11-12,23H,3-4,9-10,13H2,1-2H3