[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(3-chlorophenyl)sulfonylamino]propanoic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(3-chlorophenyl)sulfonylamino]propionic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C21H25ClN2O5S/c1-16(2)24(14-17-7-4-3-5-8-17)20(25)15-29-21(26)11-12-23-30(27,28)19-10-6-9-18(22)13-19/h3-10,13,16,23H,11-12,14-15H2,1-2H3