tert-butyl N-[1-[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]-1-methyl-ethyl]carbamate CAS Name: N-[1-[(4-chlorophenyl)sulfonyl-(2-oxo-3-azepanyl)amino]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]propan-2-yl]carbamate Traditional Name: N-[2-[(4-chlorophenyl)sulfonyl-(2-ketoazepan-3-yl)amino]-1-methyl-ethyl]carbamic acid tert-butyl ester Formula: C20H30ClN3O5S MolecularWeight: 459.9873

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C1CCCCNC1=O)S(=O)(=O)C2=CC=C(C=C2)Cl)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(CN(C1CCCCNC1=O)S(=O)(=O)C2=CC=C(C=C2)Cl)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H30ClN3O5S/c1-14(23-19(26)29-20(2,3)4)13-24(17-7-5-6-12-22-18(17)25)30(27,28)16-10-8-15(21)9-11-16/h8-11,14,17H,5-7,12-13H2,1-4H3,(H,22,25)(H,23,26)