[2-(3-chloranylpiperazin-1-yl)-4-phenoxysulfonyl-phenyl]sulfamic acid

Systemtic Name: [2-(3-chloranylpiperazin-1-yl)-4-phenoxysulfonyl-phenyl]sulfamic acid Openeye Name: [2-(3-chloropiperazin-1-yl)-4-phenoxysulfonyl-phenyl]sulfamic acid CAS Name: [2-(3-chloro-1-piperazinyl)-4-phenoxysulfonylphenyl]sulfamic acid IUPAC Name: [2-(3-chloropiperazin-1-yl)-4-phenoxysulfonylphenyl]sulfamic acid Traditional Name: [2-(3-chloropiperazino)-4-phenoxysulfonyl-phenyl]sulfamic acid Formula: C16H18ClN3O6S2 MolecularWeight: 447.91362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)Cl)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)O

Isomeric SMILES

C1CN(CC(N1)Cl)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)O

InChI

InChI=1S/C16H18ClN3O6S2/c17-16-11-20(9-8-18-16)15-10-13(6-7-14(15)19-28(23,24)25)27(21,22)26-12-4-2-1-3-5-12/h1-7,10,16,18-19H,8-9,11H2,(H,23,24,25)