3-(aziridin-1-yl)-4-phenoxy-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(aziridin-1-yl)-4-phenoxy-5-sulfamoyl-benzoic acid Openeye Name: 3-(aziridin-1-yl)-4-phenoxy-5-sulfamoyl-benzoic acid CAS Name: 3-(1-aziridinyl)-4-phenoxy-5-sulfamoylbenzoic acid IUPAC Name: 3-(aziridin-1-yl)-4-phenoxy-5-sulfamoylbenzoic acid Traditional Name: 3-ethylenimino-4-phenoxy-5-sulfamoyl-benzoic acid Formula: C15H14N2O5S MolecularWeight: 334.34706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3

Isomeric SMILES

C1CN1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)OC3=CC=CC=C3

InChI

InChI=1S/C15H14N2O5S/c16-23(20,21)13-9-10(15(18)19)8-12(17-6-7-17)14(13)22-11-4-2-1-3-5-11/h1-5,8-9H,6-7H2,(H,18,19)(H2,16,20,21)