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

Systemtic Name: [4-methyl-2-[3-(phenylsulfonyl)piperazin-1-yl]phenyl]sulfamic acid Openeye Name: [2-[3-(benzenesulfonyl)piperazin-1-yl]-4-methyl-phenyl]sulfamic acid CAS Name: [2-[3-(benzenesulfonyl)-1-piperazinyl]-4-methylphenyl]sulfamic acid IUPAC Name: [2-[3-(benzenesulfonyl)piperazin-1-yl]-4-methylphenyl]sulfamic acid Traditional Name: [2-(3-besylpiperazino)-4-methyl-phenyl]sulfamic acid Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21N3O5S2/c1-13-7-8-15(19-27(23,24)25)16(11-13)20-10-9-18-17(12-20)26(21,22)14-5-3-2-4-6-14/h2-8,11,17-19H,9-10,12H2,1H3,(H,23,24,25)