[4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [4-[methyl-(4-methylphenyl)sulfonyl-amino]phenyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [4-[methyl(p-tolylsulfonyl)amino]phenyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [4-[methyl-(4-methylphenyl)sulfonylamino]phenyl] ester IUPAC Name: [4-[methyl-(4-methylphenyl)sulfonylamino]phenyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [4-[methyl(tosyl)amino]phenyl] ester Formula: C30H31NO5S2 MolecularWeight: 549.70084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=C(C4=CC=CC=C4O3)CSC5CCCCC5

InChI

InChI=1S/C30H31NO5S2/c1-21-12-18-25(19-13-21)38(33,34)31(2)22-14-16-23(17-15-22)35-30(32)29-27(20-37-24-8-4-3-5-9-24)26-10-6-7-11-28(26)36-29/h6-7,10-19,24H,3-5,8-9,20H2,1-2H3