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

Systemtic Name: 2-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Openeye Name: 2-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide CAS Name: 2-[[2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl]thio]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide IUPAC Name: 2-[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Traditional Name: 2-[[2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl]thio]-N-(2-methoxyphenyl)-1,3-benzoxazole-5-sulfonamide Formula: C27H22N4O5S2 MolecularWeight: 546.61738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)C4=CN(C5=CC=CC=C54)CCC#N

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCC(=O)C4=CN(C5=CC=CC=C54)CCC#N

InChI

InChI=1S/C27H22N4O5S2/c1-35-25-10-5-3-8-21(25)30-38(33,34)18-11-12-26-22(15-18)29-27(36-26)37-17-24(32)20-16-31(14-6-13-28)23-9-4-2-7-19(20)23/h2-5,7-12,15-16,30H,6,14,17H2,1H3