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

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethylphenyl)sulfonylamino]propanoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethylphenyl)sulfonylamino]propionic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-15-9-10-18(13-16(15)2)28(25,26)21-12-11-20(24)27-14-19(23)22-17-7-5-3-4-6-8-17/h9-10,13,17,21H,3-8,11-12,14H2,1-2H3,(H,22,23)