tert-butyl 3-[2-methylpropyl(phenylsulfonyl)amino]-2-oxidanylidene-azepane-1-carboxylate

Systemtic Name: tert-butyl 3-[2-methylpropyl(phenylsulfonyl)amino]-2-oxidanylidene-azepane-1-carboxylate Openeye Name: tert-butyl 3-[benzenesulfonyl(isobutyl)amino]-2-oxo-azepane-1-carboxylate CAS Name: 3-[benzenesulfonyl(2-methylpropyl)amino]-2-oxo-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[benzenesulfonyl(2-methylpropyl)amino]-2-oxoazepane-1-carboxylate Traditional Name: 3-[besyl(isobutyl)amino]-2-keto-azepane-1-carboxylic acid tert-butyl ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1CCCCN(C1=O)C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CN(C1CCCCN(C1=O)C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H32N2O5S/c1-16(2)15-23(29(26,27)17-11-7-6-8-12-17)18-13-9-10-14-22(19(18)24)20(25)28-21(3,4)5/h6-8,11-12,16,18H,9-10,13-15H2,1-5H3