(3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-(2-nitrophenyl)propanoate

Systemtic Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-(2-nitrophenyl)propanoate Openeye Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-(2-nitrophenyl)propanoate CAS Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-(2-nitrophenyl)propanoate IUPAC Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-(2-nitrophenyl)propanoate Traditional Name: (3S)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-(2-nitrophenyl)propionate Formula: C17H15N2O8S- MolecularWeight: 407.3746

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NC(CC(=O)[O-])C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)N[C@@H](CC(=O)[O-])C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O8S/c20-17(21)10-13(12-3-1-2-4-14(12)19(22)23)18-28(24,25)11-5-6-15-16(9-11)27-8-7-26-15/h1-6,9,13,18H,7-8,10H2,(H,20,21)/p-1/t13-/m0/s1