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

Systemtic Name: tert-butyl N-[2-[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]ethyl]carbamate Openeye Name: tert-butyl N-[2-[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]ethyl]carbamate CAS Name: N-[2-[(4-chlorophenyl)sulfonyl-(2-oxo-3-azepanyl)amino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]ethyl]carbamate Traditional Name: N-[2-[(4-chlorophenyl)sulfonyl-(2-ketoazepan-3-yl)amino]ethyl]carbamic acid tert-butyl ester Formula: C19H28ClN3O5S MolecularWeight: 445.96072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCN(C1CCCCNC1=O)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCN(C1CCCCNC1=O)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H28ClN3O5S/c1-19(2,3)28-18(25)22-12-13-23(16-6-4-5-11-21-17(16)24)29(26,27)15-9-7-14(20)8-10-15/h7-10,16H,4-6,11-13H2,1-3H3,(H,21,24)(H,22,25)