tert-butyl 2-[(3S)-2-oxidanylidene-3-(phenylsulfamoylamino)azepan-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[(3S)-2-oxidanylidene-3-(phenylsulfamoylamino)azepan-1-yl]ethanoate Openeye Name: tert-butyl 2-[(3S)-2-oxo-3-(phenylsulfamoylamino)azepan-1-yl]acetate CAS Name: 2-[(3S)-2-oxo-3-(phenylsulfamoylamino)-1-azepanyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3S)-2-oxo-3-(phenylsulfamoylamino)azepan-1-yl]acetate Traditional Name: 2-[(3S)-2-keto-3-(phenylsulfamoylamino)azepan-1-yl]acetic acid tert-butyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCCCC(C1=O)NS(=O)(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCCC[C@@H](C1=O)NS(=O)(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H27N3O5S/c1-18(2,3)26-16(22)13-21-12-8-7-11-15(17(21)23)20-27(24,25)19-14-9-5-4-6-10-14/h4-6,9-10,15,19-20H,7-8,11-13H2,1-3H3/t15-/m0/s1