4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonylamino]benzoate

Systemtic Name: 4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonylamino]benzoate Openeye Name: 4-[(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonylamino]benzoate CAS Name: 4-[[3-nitro-4-(1-pyrrolidinyl)phenyl]sulfonylamino]benzoate IUPAC Name: 4-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]benzoate Traditional Name: 4-[(3-nitro-4-pyrrolidino-phenyl)sulfonylamino]benzoate Formula: C17H16N3O6S- MolecularWeight: 390.39044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6S/c21-17(22)12-3-5-13(6-4-12)18-27(25,26)14-7-8-15(16(11-14)20(23)24)19-9-1-2-10-19/h3-8,11,18H,1-2,9-10H2,(H,21,22)/p-1