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

Systemtic Name: tert-butyl N-[1-[(4-chlorophenyl)sulfonyl-(2-oxidanylideneazepan-3-yl)amino]-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]ethyl]carbamate CAS Name: N-[1-[(4-chlorophenyl)sulfonyl-(2-oxo-3-azepanyl)amino]-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-[(4-chlorophenyl)sulfonyl-(2-ketoazepan-3-yl)amino]ethyl]carbamic acid tert-butyl ester Formula: C26H34ClN3O5S MolecularWeight: 536.08326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CN(C2CCCCNC2=O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C26H34ClN3O5S/c1-26(2,3)35-25(32)29-21(17-19-9-5-4-6-10-19)18-30(23-11-7-8-16-28-24(23)31)36(33,34)22-14-12-20(27)13-15-22/h4-6,9-10,12-15,21,23H,7-8,11,16-18H2,1-3H3,(H,28,31)(H,29,32)