methyl 2-methyl-5-[naphthalen-2-ylsulfonyl-(4-nitrophenyl)carbonyl-amino]-1-benzofuran-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[naphthalen-2-ylsulfonyl-(4-nitrophenyl)carbonyl-amino]-1-benzofuran-3-carboxylate Openeye Name: methyl 2-methyl-5-[2-naphthylsulfonyl-(4-nitrobenzoyl)amino]benzofuran-3-carboxylate CAS Name: 2-methyl-5-[2-naphthalenylsulfonyl-[(4-nitrophenyl)-oxomethyl]amino]-3-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[naphthalen-2-ylsulfonyl-(4-nitrobenzoyl)amino]-1-benzofuran-3-carboxylate Traditional Name: 2-methyl-5-[2-naphthylsulfonyl-(4-nitrobenzoyl)amino]benzofuran-3-carboxylic acid methyl ester Formula: C28H20N2O8S MolecularWeight: 544.532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)N(C(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C(=O)OC

InChI

InChI=1S/C28H20N2O8S/c1-17-26(28(32)37-2)24-16-22(12-14-25(24)38-17)29(27(31)19-7-10-21(11-8-19)30(33)34)39(35,36)23-13-9-18-5-3-4-6-20(18)15-23/h3-16H,1-2H3