tert-butyl 3-[(4-methoxyphenyl)methoxycarbonylamino]-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylate

Systemtic Name: tert-butyl 3-[(4-methoxyphenyl)methoxycarbonylamino]-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylate Openeye Name: tert-butyl 3-[(4-methoxyphenyl)methoxycarbonylamino]-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylate CAS Name: 3-[[(4-methoxyphenyl)methoxy-oxomethyl]amino]-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(4-methoxyphenyl)methoxycarbonylamino]-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonyl-3-(p-anisyloxycarbonylamino)-2,3,4,7-tetrahydroazepine-2-carboxylic acid tert-butyl ester Formula: C27H34N2O8S MolecularWeight: 546.63246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1C(CC=CCN1S(=O)(=O)C2=CC=C(C=C2)OC)NC(=O)OCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1C(CC=CCN1S(=O)(=O)C2=CC=C(C=C2)OC)NC(=O)OCC3=CC=C(C=C3)OC

InChI

InChI=1S/C27H34N2O8S/c1-27(2,3)37-25(30)24-23(28-26(31)36-18-19-9-11-20(34-4)12-10-19)8-6-7-17-29(24)38(32,33)22-15-13-21(35-5)14-16-22/h6-7,9-16,23-24H,8,17-18H2,1-5H3,(H,28,31)