[1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 3-[(4-methoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]butan-2-yl] 3-[(4-methoxyphenyl)sulfonylamino]propanoate Openeye Name: 1-(benzylcarbamoyl)propyl 3-[(4-methoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-methoxyphenyl)sulfonylamino]propanoic acid [1-oxo-1-[(phenylmethyl)amino]butan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxobutan-2-yl] 3-[(4-methoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-methoxyphenyl)sulfonylamino]propionic acid 1-(benzylcarbamoyl)propyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCC(C(=O)NCC1=CC=CC=C1)OC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H26N2O6S/c1-3-19(21(25)22-15-16-7-5-4-6-8-16)29-20(24)13-14-23-30(26,27)18-11-9-17(28-2)10-12-18/h4-12,19,23H,3,13-15H2,1-2H3,(H,22,25)