tert-butyl N-[1-(4-methylphenyl)sulfonyl-2-oxidanylidene-azepan-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-(4-methylphenyl)sulfonyl-2-oxidanylidene-azepan-3-yl]carbamate Openeye Name: tert-butyl N-[2-oxo-1-(p-tolylsulfonyl)azepan-3-yl]carbamate CAS Name: N-[1-(4-methylphenyl)sulfonyl-2-oxo-3-azepanyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(4-methylphenyl)sulfonyl-2-oxoazepan-3-yl]carbamate Traditional Name: N-(2-keto-1-tosyl-azepan-3-yl)carbamic acid tert-butyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC(C2=O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC(C2=O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H26N2O5S/c1-13-8-10-14(11-9-13)26(23,24)20-12-6-5-7-15(16(20)21)19-17(22)25-18(2,3)4/h8-11,15H,5-7,12H2,1-4H3,(H,19,22)