tert-butyl N-[2-(1-benzothiophen-5-ylmethylsulfonyl)-1-phenyl-ethyl]carbamate

Systemtic Name: tert-butyl N-[2-(1-benzothiophen-5-ylmethylsulfonyl)-1-phenyl-ethyl]carbamate Openeye Name: tert-butyl N-[2-(benzothiophen-5-ylmethylsulfonyl)-1-phenyl-ethyl]carbamate CAS Name: N-[2-(1-benzothiophen-5-ylmethylsulfonyl)-1-phenylethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(1-benzothiophen-5-ylmethylsulfonyl)-1-phenylethyl]carbamate Traditional Name: N-[2-(benzothiophen-5-ylmethylsulfonyl)-1-phenyl-ethyl]carbamic acid tert-butyl ester Formula: C22H25NO4S2 MolecularWeight: 431.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CS(=O)(=O)CC1=CC2=C(C=C1)SC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CS(=O)(=O)CC1=CC2=C(C=C1)SC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO4S2/c1-22(2,3)27-21(24)23-19(17-7-5-4-6-8-17)15-29(25,26)14-16-9-10-20-18(13-16)11-12-28-20/h4-13,19H,14-15H2,1-3H3,(H,23,24)