2-[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbutanedioic acid

Systemtic Name: 2-[2-[(2-methyl-5-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbutanedioic acid Openeye Name: 2-[2-(2-methyl-5-morpholinosulfonyl-anilino)-2-oxo-ethyl]sulfanylbutanedioic acid CAS Name: 2-[[2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]thio]butanedioic acid IUPAC Name: 2-[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl]sulfanylbutanedioic acid Traditional Name: 2-[[2-keto-2-(2-methyl-5-morpholinosulfonyl-anilino)ethyl]thio]succinic acid Formula: C17H22N2O8S2 MolecularWeight: 446.49518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSC(CC(=O)O)C(=O)O

InChI

InChI=1S/C17H22N2O8S2/c1-11-2-3-12(29(25,26)19-4-6-27-7-5-19)8-13(11)18-15(20)10-28-14(17(23)24)9-16(21)22/h2-3,8,14H,4-7,9-10H2,1H3,(H,18,20)(H,21,22)(H,23,24)