[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(1-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(1-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl] 3-(1-methyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(1-methyl-4-oxo-2-quinazolinyl)propanoic acid [2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] 3-(1-methyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1-methyl-quinazolin-2-yl)propionic acid [2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl] ester Formula: C26H30N4O6S MolecularWeight: 526.6046

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)N=C1CCC(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)N=C1CCC(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H30N4O6S/c1-29-22-12-5-4-11-21(22)26(33)28-23(29)13-14-25(32)36-18-24(31)27-19-9-8-10-20(17-19)37(34,35)30-15-6-2-3-7-16-30/h4-5,8-12,17H,2-3,6-7,13-16,18H2,1H3,(H,27,31)