1-[4-chloranyl-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]sulfonyl-3-methyl-indole dihydrochloride

Systemtic Name: 1-[4-chloranyl-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]sulfonyl-3-methyl-indole dihydrochloride Openeye Name: 1-[4-chloro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]sulfonyl-3-methyl-indole dihydrochloride CAS Name: 1-[4-chloro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]sulfonyl-3-methylindole dihydrochloride IUPAC Name: 1-[4-chloro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]sulfonyl-3-methylindole dihydrochloride Traditional Name: 1-[4-chloro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]sulfonyl-3-methyl-indole dihydrochloride Formula: C22H28Cl3N3O2S MolecularWeight: 504.90062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=CC=CC=C12)S(=O)(=O)C3=CC(=C(C=C3)Cl)CN4CCCN(CC4)C.Cl.Cl

Isomeric SMILES

CC1=CN(C2=CC=CC=C12)S(=O)(=O)C3=CC(=C(C=C3)Cl)CN4CCCN(CC4)C.Cl.Cl

InChI

InChI=1S/C22H26ClN3O2S.2ClH/c1-17-15-26(22-7-4-3-6-20(17)22)29(27,28)19-8-9-21(23)18(14-19)16-25-11-5-10-24(2)12-13-25;;/h3-4,6-9,14-15H,5,10-13,16H2,1-2H3;2*1H