N-(4-methoxyphenyl)-2-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]sulfanyl-ethanamide

Systemtic Name: N-(4-methoxyphenyl)-2-[2-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]sulfanyl-ethanamide Openeye Name: N-(4-methoxyphenyl)-2-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanyl-acetamide CAS Name: N-(4-methoxyphenyl)-2-[[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)anilino]ethyl]thio]acetamide IUPAC Name: N-(4-methoxyphenyl)-2-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-(4-pyrrolidinosulfonylanilino)ethyl]thio]-N-(4-methoxyphenyl)acetamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H25N3O5S2/c1-29-18-8-4-16(5-9-18)22-20(25)14-30-15-21(26)23-17-6-10-19(11-7-17)31(27,28)24-12-2-3-13-24/h4-11H,2-3,12-15H2,1H3,(H,22,25)(H,23,26)