ethyl 5-[(2-chlorophenyl)carbonyl-naphthalen-2-ylsulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[(2-chlorophenyl)carbonyl-naphthalen-2-ylsulfonyl-amino]-2-methyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(2-chlorobenzoyl)-(2-naphthylsulfonyl)amino]-2-methyl-benzofuran-3-carboxylate CAS Name: 5-[[(2-chlorophenyl)-oxomethyl]-(2-naphthalenylsulfonyl)amino]-2-methyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2-chlorobenzoyl)-naphthalen-2-ylsulfonylamino]-2-methyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(2-chlorobenzoyl)-(2-naphthylsulfonyl)amino]-2-methyl-benzofuran-3-carboxylic acid ethyl ester Formula: C29H22ClNO6S MolecularWeight: 548.00608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC=CC=C3Cl)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)N(C(=O)C3=CC=CC=C3Cl)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C29H22ClNO6S/c1-3-36-29(33)27-18(2)37-26-15-13-21(17-24(26)27)31(28(32)23-10-6-7-11-25(23)30)38(34,35)22-14-12-19-8-4-5-9-20(19)16-22/h4-17H,3H2,1-2H3