2-azanyl-4-methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one hydrochloride

Systemtic Name: 2-azanyl-4-methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one hydrochloride Openeye Name: 2-amino-4-methyl-1-[4-(p-tolylsulfonyl)piperazin-1-yl]pentan-1-one hydrochloride CAS Name: 2-amino-4-methyl-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-1-pentanone hydrochloride IUPAC Name: 2-amino-4-methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pentan-1-one hydrochloride Traditional Name: 2-amino-4-methyl-1-(4-tosylpiperazino)pentan-1-one hydrochloride Formula: C17H28ClN3O3S MolecularWeight: 389.94052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O3S.ClH/c1-13(2)12-16(18)17(21)19-8-10-20(11-9-19)24(22,23)15-6-4-14(3)5-7-15;/h4-7,13,16H,8-12,18H2,1-3H3;1H