[1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-[(2-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]propanoic acid [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid [2-[(2-chlorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H25ClN2O6S MolecularWeight: 468.951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC(C)C(=O)NCC2=CC=CC=C2Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC(C)C(=O)NCC2=CC=CC=C2Cl

InChI

InChI=1S/C21H25ClN2O6S/c1-3-29-17-8-10-18(11-9-17)31(27,28)24-13-12-20(25)30-15(2)21(26)23-14-16-6-4-5-7-19(16)22/h4-11,15,24H,3,12-14H2,1-2H3,(H,23,26)