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

Systemtic Name: ethyl 2-[2-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C19H28N2O6S2 MolecularWeight: 444.56542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

Isomeric SMILES

CCOC(=O)CSCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C19H28N2O6S2/c1-3-27-19(23)14-28-13-18(22)20-16-12-15(8-9-17(16)26-2)29(24,25)21-10-6-4-5-7-11-21/h8-9,12H,3-7,10-11,13-14H2,1-2H3,(H,20,22)