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

Systemtic Name: [4-(2-hydroxyphenyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamic acid Openeye Name: [4-(2-hydroxyphenyl)-2-(3-isopropylsulfonylpiperazin-1-yl)phenyl]sulfamic acid CAS Name: [4-(2-hydroxyphenyl)-2-(3-propan-2-ylsulfonyl-1-piperazinyl)phenyl]sulfamic acid IUPAC Name: [4-(2-hydroxyphenyl)-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamic acid Traditional Name: [4-(2-hydroxyphenyl)-2-(3-isopropylsulfonylpiperazino)phenyl]sulfamic acid Formula: C19H25N3O6S2 MolecularWeight: 455.5483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=CC(=C2)C3=CC=CC=C3O)NS(=O)(=O)O

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=CC(=C2)C3=CC=CC=C3O)NS(=O)(=O)O

InChI

InChI=1S/C19H25N3O6S2/c1-13(2)29(24,25)19-12-22(10-9-20-19)17-11-14(15-5-3-4-6-18(15)23)7-8-16(17)21-30(26,27)28/h3-8,11,13,19-21,23H,9-10,12H2,1-2H3,(H,26,27,28)