[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 2-[methyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]acetic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[methyl(tosyl)amino]acetic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OC(C)C(=O)NC2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OC(C)C(=O)NC2CCCCCC2

InChI

InChI=1S/C20H30N2O5S/c1-15-10-12-18(13-11-15)28(25,26)22(3)14-19(23)27-16(2)20(24)21-17-8-6-4-5-7-9-17/h10-13,16-17H,4-9,14H2,1-3H3,(H,21,24)