N-[4-[2-[4-(2-acetamidoethylsulfanyl)phenyl]sulfonylbutanoylamino]-5-chloranyl-2-oxidanyl-phenyl]-5-ethanoyl-thiophene-2-carboxamide

Systemtic Name: N-[4-[2-[4-(2-acetamidoethylsulfanyl)phenyl]sulfonylbutanoylamino]-5-chloranyl-2-oxidanyl-phenyl]-5-ethanoyl-thiophene-2-carboxamide Openeye Name: N-[4-[2-[4-(2-acetamidoethylsulfanyl)phenyl]sulfonylbutanoylamino]-5-chloro-2-hydroxy-phenyl]-5-acetyl-thiophene-2-carboxamide CAS Name: N-[4-[[2-[4-(2-acetamidoethylthio)phenyl]sulfonyl-1-oxobutyl]amino]-5-chloro-2-hydroxyphenyl]-5-acetyl-2-thiophenecarboxamide IUPAC Name: N-[4-[2-[4-(2-acetamidoethylsulfanyl)phenyl]sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-5-acetylthiophene-2-carboxamide Traditional Name: N-[4-[2-[4-(2-acetamidoethylthio)phenyl]sulfonylbutanoylamino]-5-chloro-2-hydroxy-phenyl]-5-acetyl-thiophene-2-carboxamide Formula: C27H28ClN3O7S3 MolecularWeight: 638.17512

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C2=CC=C(S2)C(=O)C)O)S(=O)(=O)C3=CC=C(C=C3)SCCNC(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1Cl)NC(=O)C2=CC=C(S2)C(=O)C)O)S(=O)(=O)C3=CC=C(C=C3)SCCNC(=O)C

InChI

InChI=1S/C27H28ClN3O7S3/c1-4-25(41(37,38)18-7-5-17(6-8-18)39-12-11-29-16(3)33)27(36)30-20-14-22(34)21(13-19(20)28)31-26(35)24-10-9-23(40-24)15(2)32/h5-10,13-14,25,34H,4,11-12H2,1-3H3,(H,29,33)(H,30,36)(H,31,35)