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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)C3=CC=CC=C3O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)C3=CC=CC=C3O

InChI

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