1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H27N3O5S/c1-18(24-26-22-9-5-4-8-21(22)25(30)27-24)33-23(29)15-12-19-10-13-20(14-11-19)34(31,32)28-16-6-2-3-7-17-28/h4-5,8-15,18H,2-3,6-7,16-17H2,1H3,(H,26,27,30)/b15-12+