[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2CCCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC2CCCCCC2

InChI

InChI=1S/C19H28N2O5S/c1-15-8-10-17(11-9-15)27(24,25)20-13-12-19(23)26-14-18(22)21-16-6-4-2-3-5-7-16/h8-11,16,20H,2-7,12-14H2,1H3,(H,21,22)