4-(4-methyl-1,4-diazepan-1-yl)-1-(2-methylphenyl)sulfonyl-indole hydrochloride

Systemtic Name: 4-(4-methyl-1,4-diazepan-1-yl)-1-(2-methylphenyl)sulfonyl-indole hydrochloride Openeye Name: 4-(4-methyl-1,4-diazepan-1-yl)-1-(o-tolylsulfonyl)indole hydrochloride CAS Name: 4-(4-methyl-1,4-diazepan-1-yl)-1-(2-methylphenyl)sulfonylindole hydrochloride IUPAC Name: 4-(4-methyl-1,4-diazepan-1-yl)-1-(2-methylphenyl)sulfonylindole hydrochloride Traditional Name: 4-(4-methyl-1,4-diazepan-1-yl)-1-(o-tolylsulfonyl)indole hydrochloride Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)N2C=CC3=C2C=CC=C3N4CCCN(CC4)C.Cl

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)N2C=CC3=C2C=CC=C3N4CCCN(CC4)C.Cl

InChI

InChI=1S/C21H25N3O2S.ClH/c1-17-7-3-4-10-21(17)27(25,26)24-14-11-18-19(8-5-9-20(18)24)23-13-6-12-22(2)15-16-23;/h3-5,7-11,14H,6,12-13,15-16H2,1-2H3;1H