methyl 2-[cyclopentyl(methanethioyl)amino]-6-methylsulfonyl-2-(phenylmethyl)hexanoate

Systemtic Name: methyl 2-[cyclopentyl(methanethioyl)amino]-6-methylsulfonyl-2-(phenylmethyl)hexanoate Openeye Name: methyl 2-benzyl-2-[cyclopentyl(methanethioyl)amino]-6-methylsulfonyl-hexanoate CAS Name: 2-[cyclopentyl(methanethioyl)amino]-6-methylsulfonyl-2-(phenylmethyl)hexanoic acid methyl ester IUPAC Name: methyl 2-benzyl-2-[cyclopentyl(methanethioyl)amino]-6-methylsulfonylhexanoate Traditional Name: 2-benzyl-2-[cyclopentyl(thioformyl)amino]-6-mesyl-hexanoic acid methyl ester Formula: C21H31NO4S2 MolecularWeight: 425.60514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCS(=O)(=O)C)(CC1=CC=CC=C1)N(C=S)C2CCCC2

Isomeric SMILES

COC(=O)C(CCCCS(=O)(=O)C)(CC1=CC=CC=C1)N(C=S)C2CCCC2

InChI

InChI=1S/C21H31NO4S2/c1-26-20(23)21(14-8-9-15-28(2,24)25,16-18-10-4-3-5-11-18)22(17-27)19-12-6-7-13-19/h3-5,10-11,17,19H,6-9,12-16H2,1-2H3