tert-butyl N-(4-methylphenyl)sulfonyl-N-(3-phenethylpent-4-ynyl)carbamate

Systemtic Name: tert-butyl N-(4-methylphenyl)sulfonyl-N-(3-phenethylpent-4-ynyl)carbamate Openeye Name: tert-butyl N-(3-phenethylpent-4-ynyl)-N-(p-tolylsulfonyl)carbamate CAS Name: N-(4-methylphenyl)sulfonyl-N-(3-phenethylpent-4-ynyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(4-methylphenyl)sulfonyl-N-(3-phenethylpent-4-ynyl)carbamate Traditional Name: N-(3-phenethylpent-4-ynyl)-N-tosyl-carbamic acid tert-butyl ester Formula: C25H31NO4S MolecularWeight: 441.58294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(CCC2=CC=CC=C2)C#C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(CCC2=CC=CC=C2)C#C)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H31NO4S/c1-6-21(14-15-22-10-8-7-9-11-22)18-19-26(24(27)30-25(3,4)5)31(28,29)23-16-12-20(2)13-17-23/h1,7-13,16-17,21H,14-15,18-19H2,2-5H3