4-piperazin-1-yl-1-(2,4,6-trimethylphenyl)sulfonyl-indole hydrochloride

Systemtic Name: 4-piperazin-1-yl-1-(2,4,6-trimethylphenyl)sulfonyl-indole hydrochloride Openeye Name: 4-piperazin-1-yl-1-(2,4,6-trimethylphenyl)sulfonyl-indole hydrochloride CAS Name: 4-(1-piperazinyl)-1-(2,4,6-trimethylphenyl)sulfonylindole hydrochloride IUPAC Name: 4-piperazin-1-yl-1-(2,4,6-trimethylphenyl)sulfonylindole hydrochloride Traditional Name: 1-mesitylsulfonyl-4-piperazino-indole hydrochloride Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=CC3=C2C=CC=C3N4CCNCC4)C.Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=CC3=C2C=CC=C3N4CCNCC4)C.Cl

InChI

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