[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)propanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-(phenylsulfonylamino)propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 3-(benzenesulfonamido)propanoate CAS Name: 3-(benzenesulfonamido)propanoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(benzenesulfonamido)propanoate Traditional Name: 3-(benzenesulfonamido)propionic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C18H18N2O7S MolecularWeight: 406.40972

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CCNS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)CCNS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O7S/c21-17(20-13-6-7-15-16(10-13)27-12-26-15)11-25-18(22)8-9-19-28(23,24)14-4-2-1-3-5-14/h1-7,10,19H,8-9,11-12H2,(H,20,21)