S-[(3R)-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-[[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]carbamoyl]-2-oxidanylidene-hexyl] ethanethioate

Systemtic Name: S-[(3R)-6-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-[[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]carbamoyl]-2-oxidanylidene-hexyl] ethanethioate Openeye Name: S-[(3R)-3-[[benzyl-(4-methoxyphenyl)sulfonyl-amino]carbamoyl]-6-(1,3-dioxoisoindolin-2-yl)-2-oxo-hexyl] ethanethioate CAS Name: ethanethioic acid S-[(3R)-6-(1,3-dioxo-2-isoindolyl)-3-[[2-(4-methoxyphenyl)sulfonyl-2-(phenylmethyl)hydrazinyl]-oxomethyl]-2-oxohexyl] ester IUPAC Name: S-[(3R)-3-[[benzyl-(4-methoxyphenyl)sulfonylamino]carbamoyl]-6-(1,3-dioxoisoindol-2-yl)-2-oxohexyl] ethanethioate Traditional Name: ethanethioic acid S-[(3R)-3-[[benzyl-(4-methoxyphenyl)sulfonyl-amino]carbamoyl]-2-keto-6-phthalimido-hexyl] ester Formula: C31H31N3O8S2 MolecularWeight: 637.72314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C(CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)NN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)SCC(=O)[C@@H](CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)NN(CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C31H31N3O8S2/c1-21(35)43-20-28(36)27(13-8-18-33-30(38)25-11-6-7-12-26(25)31(33)39)29(37)32-34(19-22-9-4-3-5-10-22)44(40,41)24-16-14-23(42-2)15-17-24/h3-7,9-12,14-17,27H,8,13,18-20H2,1-2H3,(H,32,37)/t27-/m1/s1