1-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-piperazin-1-yl-indole hydrochloride

Systemtic Name: 1-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-piperazin-1-yl-indole hydrochloride Openeye Name: 1-(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-4-piperazin-1-yl-indole hydrochloride CAS Name: 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-(1-piperazinyl)indole hydrochloride IUPAC Name: 1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-4-piperazin-1-ylindole hydrochloride Traditional Name: 1-(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-4-piperazino-indole hydrochloride Formula: C21H21Cl2N3O2S2 MolecularWeight: 482.44634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N3C=CC4=C3C=CC=C4N5CCNCC5.Cl

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N3C=CC4=C3C=CC=C4N5CCNCC5.Cl

InChI

InChI=1S/C21H20ClN3O2S2.ClH/c1-14-17-13-15(22)5-6-20(17)28-21(14)29(26,27)25-10-7-16-18(3-2-4-19(16)25)24-11-8-23-9-12-24;/h2-7,10,13,23H,8-9,11-12H2,1H3;1H