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

Systemtic Name: [2-(3-ethoxypiperazin-1-yl)-4-phenoxysulfonyl-phenyl]sulfamic acid Openeye Name: [2-(3-ethoxypiperazin-1-yl)-4-phenoxysulfonyl-phenyl]sulfamic acid CAS Name: [2-(3-ethoxy-1-piperazinyl)-4-phenoxysulfonylphenyl]sulfamic acid IUPAC Name: [2-(3-ethoxypiperazin-1-yl)-4-phenoxysulfonylphenyl]sulfamic acid Traditional Name: [2-(3-ethoxypiperazino)-4-phenoxysulfonyl-phenyl]sulfamic acid Formula: C18H23N3O7S2 MolecularWeight: 457.52112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)O

Isomeric SMILES

CCOC1CN(CCN1)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)O

InChI

InChI=1S/C18H23N3O7S2/c1-2-27-18-13-21(11-10-19-18)17-12-15(8-9-16(17)20-30(24,25)26)29(22,23)28-14-6-4-3-5-7-14/h3-9,12,18-20H,2,10-11,13H2,1H3,(H,24,25,26)