2-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide

Systemtic Name: 2-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide CAS Name: 2-[[2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl]thio]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]sulfanyl-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[[2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl]thio]-N,N-dimethyl-1,3-benzoxazole-5-sulfonamide Formula: C22H20N4O4S2 MolecularWeight: 468.5486

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C22H20N4O4S2/c1-25(2)32(28,29)15-8-9-21-18(12-15)24-22(30-21)31-14-20(27)17-13-26(11-5-10-23)19-7-4-3-6-16(17)19/h3-4,6-9,12-13H,5,11,14H2,1-2H3