(4-azanylquinazolin-2-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=N2)N)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3C(=N2)N)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H22N4O5S/c1-29-17-9-8-14(12-18(17)31(27,28)25-10-4-5-11-25)21(26)30-13-19-23-16-7-3-2-6-15(16)20(22)24-19/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H2,22,23,24)