[4-ethyl-2-[3-(phenylsulfonyl)piperazin-1-yl]phenyl]sulfamic acid

Systemtic Name: [4-ethyl-2-[3-(phenylsulfonyl)piperazin-1-yl]phenyl]sulfamic acid Openeye Name: [2-[3-(benzenesulfonyl)piperazin-1-yl]-4-ethyl-phenyl]sulfamic acid CAS Name: [2-[3-(benzenesulfonyl)-1-piperazinyl]-4-ethylphenyl]sulfamic acid IUPAC Name: [2-[3-(benzenesulfonyl)piperazin-1-yl]-4-ethylphenyl]sulfamic acid Traditional Name: [2-(3-besylpiperazino)-4-ethyl-phenyl]sulfamic acid Formula: C18H23N3O5S2 MolecularWeight: 425.52232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H23N3O5S2/c1-2-14-8-9-16(20-28(24,25)26)17(12-14)21-11-10-19-18(13-21)27(22,23)15-6-4-3-5-7-15/h3-9,12,18-20H,2,10-11,13H2,1H3,(H,24,25,26)