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

Systemtic Name: ethyl 2-[2-[[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[5-(1-azepanylsulfonyl)-2-chloroanilino]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[5-(azepan-1-ylsulfonyl)-2-chloroanilino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[5-(azepan-1-ylsulfonyl)-2-chloro-anilino]-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C18H25ClN2O5S2 MolecularWeight: 448.9845

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN2O5S2/c1-2-26-18(23)13-27-12-17(22)20-16-11-14(7-8-15(16)19)28(24,25)21-9-5-3-4-6-10-21/h7-8,11H,2-6,9-10,12-13H2,1H3,(H,20,22)