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

Systemtic Name: [4-phenoxysulfonyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamic acid Openeye Name: [2-(3-isopropylsulfonylpiperazin-1-yl)-4-phenoxysulfonyl-phenyl]sulfamic acid CAS Name: [4-phenoxysulfonyl-2-(3-propan-2-ylsulfonyl-1-piperazinyl)phenyl]sulfamic acid IUPAC Name: [4-phenoxysulfonyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamic acid Traditional Name: [2-(3-isopropylsulfonylpiperazino)-4-phenoxysulfonyl-phenyl]sulfamic acid Formula: C19H25N3O8S3 MolecularWeight: 519.6121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)O

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)O

InChI

InChI=1S/C19H25N3O8S3/c1-14(2)31(23,24)19-13-22(11-10-20-19)18-12-16(8-9-17(18)21-33(27,28)29)32(25,26)30-15-6-4-3-5-7-15/h3-9,12,14,19-21H,10-11,13H2,1-2H3,(H,27,28,29)