O6-ethyl O4-methyl 7-azanyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroazepine-4,6-dicarboxylate

Systemtic Name: O6-ethyl O4-methyl 7-azanyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroazepine-4,6-dicarboxylate Openeye Name: O6-ethyl O4-methyl 7-amino-1-(p-tolylsulfonyl)-2,3-dihydroazepine-4,6-dicarboxylate CAS Name: 7-amino-1-(4-methylphenyl)sulfonyl-2,3-dihydroazepine-4,6-dicarboxylic acid O6-ethyl ester O4-methyl ester IUPAC Name: 6-O-ethyl 4-O-methyl 7-amino-1-(4-methylphenyl)sulfonyl-2,3-dihydroazepine-4,6-dicarboxylate Traditional Name: 7-amino-1-tosyl-2,3-dihydroazepine-4,6-dicarboxylic acid O6-ethyl ester O4-methyl ester Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(CCC(=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(CCC(=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)C)N

InChI

InChI=1S/C18H22N2O6S/c1-4-26-18(22)15-11-13(17(21)25-3)9-10-20(16(15)19)27(23,24)14-7-5-12(2)6-8-14/h5-8,11H,4,9-10,19H2,1-3H3