N,N-dimethyl-2-[1-(phenylmethyl)-3-(phenylsulfonyl)indol-2-yl]sulfanyl-ethanamine hydrochloride

Systemtic Name: N,N-dimethyl-2-[1-(phenylmethyl)-3-(phenylsulfonyl)indol-2-yl]sulfanyl-ethanamine hydrochloride Openeye Name: 2-[3-(benzenesulfonyl)-1-benzyl-indol-2-yl]sulfanyl-N,N-dimethyl-ethanamine hydrochloride CAS Name: 2-[[3-(benzenesulfonyl)-1-(phenylmethyl)-2-indolyl]thio]-N,N-dimethylethanamine hydrochloride IUPAC Name: 2-[3-(benzenesulfonyl)-1-benzylindol-2-yl]sulfanyl-N,N-dimethylethanamine hydrochloride Traditional Name: 2-[(1-benzyl-3-besyl-indol-2-yl)thio]ethyl-dimethyl-amine hydrochloride Formula: C25H27ClN2O2S2 MolecularWeight: 487.07708

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4.Cl

Isomeric SMILES

CN(C)CCSC1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C25H26N2O2S2.ClH/c1-26(2)17-18-30-25-24(31(28,29)21-13-7-4-8-14-21)22-15-9-10-16-23(22)27(25)19-20-11-5-3-6-12-20;/h3-16H,17-19H2,1-2H3;1H