1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H21N3O5S/c1-14(19-22-18-7-3-2-6-17(18)20(25)23-19)29-21(26)15-8-10-16(11-9-15)30(27,28)24-12-4-5-13-24/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,22,23,25)