3-[(4-methoxyphenyl)methoxycarbonylamino]-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid

Systemtic Name: 3-[(4-methoxyphenyl)methoxycarbonylamino]-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid Openeye Name: 3-[(4-methoxyphenyl)methoxycarbonylamino]-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid CAS Name: 3-[[(4-methoxyphenyl)methoxy-oxomethyl]amino]-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid IUPAC Name: 3-[(4-methoxyphenyl)methoxycarbonylamino]-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid Traditional Name: 1-(4-methoxyphenyl)sulfonyl-3-(p-anisyloxycarbonylamino)-2,3,4,7-tetrahydroazepine-2-carboxylic acid Formula: C23H26N2O8S MolecularWeight: 490.52614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)NC2CC=CCN(C2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)NC2CC=CCN(C2C(=O)O)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H26N2O8S/c1-31-17-8-6-16(7-9-17)15-33-23(28)24-20-5-3-4-14-25(21(20)22(26)27)34(29,30)19-12-10-18(32-2)11-13-19/h3-4,6-13,20-21H,5,14-15H2,1-2H3,(H,24,28)(H,26,27)