tert-butyl N-[4-[(2-chlorophenyl)-oxidanyl-methyl]-2-(3-phenylmethoxyphenyl)sulfanyl-heptan-4-yl]carbamate

Systemtic Name: tert-butyl N-[4-[(2-chlorophenyl)-oxidanyl-methyl]-2-(3-phenylmethoxyphenyl)sulfanyl-heptan-4-yl]carbamate Openeye Name: tert-butyl N-[3-(3-benzyloxyphenyl)sulfanyl-1-[(2-chlorophenyl)-hydroxy-methyl]-1-propyl-butyl]carbamate CAS Name: N-[4-[(2-chlorophenyl)-hydroxymethyl]-2-[(3-phenylmethoxyphenyl)thio]heptan-4-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(2-chlorophenyl)-hydroxymethyl]-2-(3-phenylmethoxyphenyl)sulfanylheptan-4-yl]carbamate Traditional Name: N-[3-[(3-benzoxyphenyl)thio]-1-[(2-chlorophenyl)-hydroxy-methyl]-1-propyl-butyl]carbamic acid tert-butyl ester Formula: C32H40ClNO4S MolecularWeight: 570.1823

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(C)SC1=CC=CC(=C1)OCC2=CC=CC=C2)(C(C3=CC=CC=C3Cl)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC(CC(C)SC1=CC=CC(=C1)OCC2=CC=CC=C2)(C(C3=CC=CC=C3Cl)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C32H40ClNO4S/c1-6-19-32(34-30(36)38-31(3,4)5,29(35)27-17-10-11-18-28(27)33)21-23(2)39-26-16-12-15-25(20-26)37-22-24-13-8-7-9-14-24/h7-18,20,23,29,35H,6,19,21-22H2,1-5H3,(H,34,36)