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

Systemtic Name: [4-ethyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamic acid Openeye Name: [4-ethyl-2-(3-isopropylsulfonylpiperazin-1-yl)phenyl]sulfamic acid CAS Name: [4-ethyl-2-(3-propan-2-ylsulfonyl-1-piperazinyl)phenyl]sulfamic acid IUPAC Name: [4-ethyl-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]sulfamic acid Traditional Name: [4-ethyl-2-(3-isopropylsulfonylpiperazino)phenyl]sulfamic acid Formula: C15H25N3O5S2 MolecularWeight: 391.5061

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)S(=O)(=O)C(C)C

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)S(=O)(=O)C(C)C

InChI

InChI=1S/C15H25N3O5S2/c1-4-12-5-6-13(17-25(21,22)23)14(9-12)18-8-7-16-15(10-18)24(19,20)11(2)3/h5-6,9,11,15-17H,4,7-8,10H2,1-3H3,(H,21,22,23)