tert-butyl 3-azanyl-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylate

Systemtic Name: tert-butyl 3-azanyl-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylate Openeye Name: tert-butyl 3-amino-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylate CAS Name: 3-amino-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-amino-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylate Traditional Name: 3-amino-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboxylic acid tert-butyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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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)N

Isomeric SMILES

CC(C)(C)OC(=O)C1C(CC=CCN1S(=O)(=O)C2=CC=C(C=C2)OC)N

InChI

InChI=1S/C18H26N2O5S/c1-18(2,3)25-17(21)16-15(19)7-5-6-12-20(16)26(22,23)14-10-8-13(24-4)9-11-14/h5-6,8-11,15-16H,7,12,19H2,1-4H3