[6-bromanyl-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indol-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [6-bromanyl-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indol-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indol-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [6-bromo-5-methoxy-1-methyl-2-[(phenylthio)methyl]-3-indolyl]-(1-pyrrolidinyl)methanone IUPAC Name: [6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indol-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [6-bromo-5-methoxy-1-methyl-2-[(phenylthio)methyl]indol-3-yl]-pyrrolidino-methanone Formula: C22H23BrN2O2S MolecularWeight: 459.39922

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=C(C=C2C(=C1CSC3=CC=CC=C3)C(=O)N4CCCC4)OC)Br

Isomeric SMILES

CN1C2=CC(=C(C=C2C(=C1CSC3=CC=CC=C3)C(=O)N4CCCC4)OC)Br

InChI

InChI=1S/C22H23BrN2O2S/c1-24-18-13-17(23)20(27-2)12-16(18)21(22(26)25-10-6-7-11-25)19(24)14-28-15-8-4-3-5-9-15/h3-5,8-9,12-13H,6-7,10-11,14H2,1-2H3