[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl] propanoate

Systemtic Name: [2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl] propanoate Openeye Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-oxo-ethyl] propanoate CAS Name: propanoic acid [2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl] propanoate Traditional Name: propionic acid [2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-keto-ethyl] ester Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

Isomeric SMILES

CCC(=O)OCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C18H26N2O6S/c1-3-18(22)26-13-17(21)19-15-12-14(8-9-16(15)25-2)27(23,24)20-10-6-4-5-7-11-20/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,19,21)