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

Systemtic Name: [2-[3-(phenylsulfonyl)piperazin-1-yl]-4-propyl-phenyl]sulfamic acid Openeye Name: [2-[3-(benzenesulfonyl)piperazin-1-yl]-4-propyl-phenyl]sulfamic acid CAS Name: [2-[3-(benzenesulfonyl)-1-piperazinyl]-4-propylphenyl]sulfamic acid IUPAC Name: [2-[3-(benzenesulfonyl)piperazin-1-yl]-4-propylphenyl]sulfamic acid Traditional Name: [2-(3-besylpiperazino)-4-propyl-phenyl]sulfamic acid Formula: C19H25N3O5S2 MolecularWeight: 439.5489

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H25N3O5S2/c1-2-6-15-9-10-17(21-29(25,26)27)18(13-15)22-12-11-20-19(14-22)28(23,24)16-7-4-3-5-8-16/h3-5,7-10,13,19-21H,2,6,11-12,14H2,1H3,(H,25,26,27)