[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(2-methoxyphenyl)propanoate

Systemtic Name: [2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(2-methoxyphenyl)propanoate Openeye Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl] 3-(2-methoxyphenyl)propanoate CAS Name: 3-(2-methoxyphenyl)propanoic acid [2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] 3-(2-methoxyphenyl)propanoate Traditional Name: 3-(2-methoxyphenyl)propionic acid [2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl] ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1CCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H30N2O6S/c1-31-22-12-5-4-9-19(22)13-14-24(28)32-18-23(27)25-20-10-8-11-21(17-20)33(29,30)26-15-6-2-3-7-16-26/h4-5,8-12,17H,2-3,6-7,13-16,18H2,1H3,(H,25,27)