O-(2,2-dimethylpropyl) [1-[cyclohexen-1-ylmethyl-(4-methylphenyl)sulfonyl-amino]-6-phenylmethoxy-hex-3-yn-2-yl]sulfanylmethanethioate

Systemtic Name: O-(2,2-dimethylpropyl) [1-[cyclohexen-1-ylmethyl-(4-methylphenyl)sulfonyl-amino]-6-phenylmethoxy-hex-3-yn-2-yl]sulfanylmethanethioate Openeye Name: O-(2,2-dimethylpropyl) [5-benzyloxy-1-[[cyclohexen-1-ylmethyl(p-tolylsulfonyl)amino]methyl]pent-2-ynyl]sulfanylmethanethioate CAS Name: [[1-[1-cyclohexenylmethyl-(4-methylphenyl)sulfonylamino]-6-phenylmethoxyhex-3-yn-2-yl]thio]methanethioic acid O-(2,2-dimethylpropyl) ester IUPAC Name: O-(2,2-dimethylpropyl) [1-[cyclohexen-1-ylmethyl-(4-methylphenyl)sulfonylamino]-6-phenylmethoxyhex-3-yn-2-yl]sulfanylmethanethioate Traditional Name: [[5-benzoxy-1-[[cyclohexen-1-ylmethyl(tosyl)amino]methyl]pent-2-ynyl]thio]methanethioic acid O-neopentyl ester Formula: C33H43NO4S3 MolecularWeight: 613.89382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CCCCC2)CC(C#CCCOCC3=CC=CC=C3)SC(=S)OCC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CCCCC2)CC(C#CCCOCC3=CC=CC=C3)SC(=S)OCC(C)(C)C

InChI

InChI=1S/C33H43NO4S3/c1-27-18-20-31(21-19-27)41(35,36)34(23-28-13-7-5-8-14-28)24-30(40-32(39)38-26-33(2,3)4)17-11-12-22-37-25-29-15-9-6-10-16-29/h6,9-10,13,15-16,18-21,30H,5,7-8,12,14,22-26H2,1-4H3