3-(3-methylpyrrolidin-1-yl)-4-(4-nitrophenoxy)-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(3-methylpyrrolidin-1-yl)-4-(4-nitrophenoxy)-5-sulfamoyl-benzoic acid Openeye Name: 3-(3-methylpyrrolidin-1-yl)-4-(4-nitrophenoxy)-5-sulfamoyl-benzoic acid CAS Name: 3-(3-methyl-1-pyrrolidinyl)-4-(4-nitrophenoxy)-5-sulfamoylbenzoic acid IUPAC Name: 3-(3-methylpyrrolidin-1-yl)-4-(4-nitrophenoxy)-5-sulfamoylbenzoic acid Traditional Name: 3-(3-methylpyrrolidino)-4-(4-nitrophenoxy)-5-sulfamoyl-benzoic acid Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O7S/c1-11-6-7-20(10-11)15-8-12(18(22)23)9-16(29(19,26)27)17(15)28-14-4-2-13(3-5-14)21(24)25/h2-5,8-9,11H,6-7,10H2,1H3,(H,22,23)(H2,19,26,27)