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

Systemtic Name: 2-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl]thio]acetate Formula: C17H23N2O5S2- MolecularWeight: 399.50492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSCC(=O)[O-])S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSCC(=O)[O-])S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C17H24N2O5S2/c1-13-6-7-14(18-16(20)11-25-12-17(21)22)10-15(13)26(23,24)19-8-4-2-3-5-9-19/h6-7,10H,2-5,8-9,11-12H2,1H3,(H,18,20)(H,21,22)/p-1