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

Systemtic Name: 1-[4-chloranyl-3-[(4-ethyl-1,4-diazepan-1-yl)methyl]phenyl]sulfonyl-3-methyl-indole dihydrochloride Openeye Name: 1-[4-chloro-3-[(4-ethyl-1,4-diazepan-1-yl)methyl]phenyl]sulfonyl-3-methyl-indole dihydrochloride CAS Name: 1-[4-chloro-3-[(4-ethyl-1,4-diazepan-1-yl)methyl]phenyl]sulfonyl-3-methylindole dihydrochloride IUPAC Name: 1-[4-chloro-3-[(4-ethyl-1,4-diazepan-1-yl)methyl]phenyl]sulfonyl-3-methylindole dihydrochloride Traditional Name: 1-[4-chloro-3-[(4-ethyl-1,4-diazepan-1-yl)methyl]phenyl]sulfonyl-3-methyl-indole dihydrochloride Formula: C23H30Cl3N3O2S MolecularWeight: 518.9272

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCN(CC1)CC2=C(C=CC(=C2)S(=O)(=O)N3C=C(C4=CC=CC=C43)C)Cl.Cl.Cl

Isomeric SMILES

CCN1CCCN(CC1)CC2=C(C=CC(=C2)S(=O)(=O)N3C=C(C4=CC=CC=C43)C)Cl.Cl.Cl

InChI

InChI=1S/C23H28ClN3O2S.2ClH/c1-3-25-11-6-12-26(14-13-25)17-19-15-20(9-10-22(19)24)30(28,29)27-16-18(2)21-7-4-5-8-23(21)27;;/h4-5,7-10,15-16H,3,6,11-14,17H2,1-2H3;2*1H