tert-butyl N-[1-(2-chlorophenyl)-1-oxidanyl-4-(3-phenylmethoxyphenyl)sulfinyl-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-(2-chlorophenyl)-1-oxidanyl-4-(3-phenylmethoxyphenyl)sulfinyl-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[3-(3-benzyloxyphenyl)sulfinyl-1-[(2-chlorophenyl)-hydroxy-methyl]butyl]carbamate CAS Name: N-[1-(2-chlorophenyl)-1-hydroxy-4-(3-phenylmethoxyphenyl)sulfinylpentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(2-chlorophenyl)-1-hydroxy-4-(3-phenylmethoxyphenyl)sulfinylpentan-2-yl]carbamate Traditional Name: N-[3-(3-benzoxyphenyl)sulfinyl-1-[(2-chlorophenyl)-hydroxy-methyl]butyl]carbamic acid tert-butyl ester Formula: C29H34ClNO5S MolecularWeight: 544.10196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(C1=CC=CC=C1Cl)O)NC(=O)OC(C)(C)C)S(=O)C2=CC=CC(=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(CC(C(C1=CC=CC=C1Cl)O)NC(=O)OC(C)(C)C)S(=O)C2=CC=CC(=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C29H34ClNO5S/c1-20(37(34)23-14-10-13-22(18-23)35-19-21-11-6-5-7-12-21)17-26(31-28(33)36-29(2,3)4)27(32)24-15-8-9-16-25(24)30/h5-16,18,20,26-27,32H,17,19H2,1-4H3,(H,31,33)