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

Systemtic Name: [2-(3-chloranylpiperazin-1-yl)-4-propan-2-ylsulfonyl-phenyl]sulfamic acid Openeye Name: [2-(3-chloropiperazin-1-yl)-4-isopropylsulfonyl-phenyl]sulfamic acid CAS Name: [2-(3-chloro-1-piperazinyl)-4-propan-2-ylsulfonylphenyl]sulfamic acid IUPAC Name: [2-(3-chloropiperazin-1-yl)-4-propan-2-ylsulfonylphenyl]sulfamic acid Traditional Name: [2-(3-chloropiperazino)-4-isopropylsulfonyl-phenyl]sulfamic acid Formula: C13H20ClN3O5S2 MolecularWeight: 397.898

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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)Cl

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)Cl

InChI

InChI=1S/C13H20ClN3O5S2/c1-9(2)23(18,19)10-3-4-11(16-24(20,21)22)12(7-10)17-6-5-15-13(14)8-17/h3-4,7,9,13,15-16H,5-6,8H2,1-2H3,(H,20,21,22)