1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-(4-methylphenyl)sulfonyl-piperazine hydrochloride

Systemtic Name: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-(4-methylphenyl)sulfonyl-piperazine hydrochloride Openeye Name: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-(p-tolylsulfonyl)piperazine hydrochloride CAS Name: 1-[2-(2,5-dimethyl-1-pyrrolyl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine hydrochloride IUPAC Name: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-(4-methylphenyl)sulfonylpiperazine hydrochloride Traditional Name: 1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-tosyl-piperazine hydrochloride Formula: C19H28ClN3O2S MolecularWeight: 397.96252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCN3C(=CC=C3C)C.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCN3C(=CC=C3C)C.Cl

InChI

InChI=1S/C19H27N3O2S.ClH/c1-16-4-8-19(9-5-16)25(23,24)21-13-10-20(11-14-21)12-15-22-17(2)6-7-18(22)3;/h4-9H,10-15H2,1-3H3;1H