tert-butyl 6-bromanyl-7-[(4-phenylmethoxyphenyl)sulfonylamino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate

Systemtic Name: tert-butyl 6-bromanyl-7-[(4-phenylmethoxyphenyl)sulfonylamino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Openeye Name: tert-butyl 7-[(4-benzyloxyphenyl)sulfonylamino]-6-bromo-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate CAS Name: 6-bromo-7-[(4-phenylmethoxyphenyl)sulfonylamino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-bromo-7-[(4-phenylmethoxyphenyl)sulfonylamino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate Traditional Name: 7-[(4-benzoxyphenyl)sulfonylamino]-6-bromo-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylic acid tert-butyl ester Formula: C28H31BrN2O5S MolecularWeight: 587.52514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(CC1)C(=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)Br

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(CC1)C(=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)Br

InChI

InChI=1S/C28H31BrN2O5S/c1-28(2,3)36-27(32)31-17-15-21-9-14-25(26(29)24(21)16-18-31)30-37(33,34)23-12-10-22(11-13-23)35-19-20-7-5-4-6-8-20/h4-14,30H,15-19H2,1-3H3