4-(2,6-dimethylpiperazin-1-yl)-1-(2-methylphenyl)sulfonyl-indole hydrochloride

Systemtic Name: 4-(2,6-dimethylpiperazin-1-yl)-1-(2-methylphenyl)sulfonyl-indole hydrochloride Openeye Name: 4-(2,6-dimethylpiperazin-1-yl)-1-(o-tolylsulfonyl)indole hydrochloride CAS Name: 4-(2,6-dimethyl-1-piperazinyl)-1-(2-methylphenyl)sulfonylindole hydrochloride IUPAC Name: 4-(2,6-dimethylpiperazin-1-yl)-1-(2-methylphenyl)sulfonylindole hydrochloride Traditional Name: 4-(2,6-dimethylpiperazino)-1-(o-tolylsulfonyl)indole hydrochloride Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCC(N1C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=CC=C4C)C.Cl

Isomeric SMILES

CC1CNCC(N1C2=CC=CC3=C2C=CN3S(=O)(=O)C4=CC=CC=C4C)C.Cl

InChI

InChI=1S/C21H25N3O2S.ClH/c1-15-7-4-5-10-21(15)27(25,26)23-12-11-18-19(23)8-6-9-20(18)24-16(2)13-22-14-17(24)3;/h4-12,16-17,22H,13-14H2,1-3H3;1H