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

Systemtic Name: [4-methyl-2-[3-(phenylmethyl)piperazin-1-yl]phenyl]sulfamic acid Openeye Name: [2-(3-benzylpiperazin-1-yl)-4-methyl-phenyl]sulfamic acid CAS Name: [4-methyl-2-[3-(phenylmethyl)-1-piperazinyl]phenyl]sulfamic acid IUPAC Name: [2-(3-benzylpiperazin-1-yl)-4-methylphenyl]sulfamic acid Traditional Name: [2-(3-benzylpiperazino)-4-methyl-phenyl]sulfamic acid Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N3O3S/c1-14-7-8-17(20-25(22,23)24)18(11-14)21-10-9-19-16(13-21)12-15-5-3-2-4-6-15/h2-8,11,16,19-20H,9-10,12-13H2,1H3,(H,22,23,24)