N-[[2-(3-bromanyl-5-ethylsulfonyl-2-methoxy-phenyl)-1-ethyl-pyrrol-3-yl]methyl]-4-methoxy-N-methyl-aniline hydrochloride

Systemtic Name: N-[[2-(3-bromanyl-5-ethylsulfonyl-2-methoxy-phenyl)-1-ethyl-pyrrol-3-yl]methyl]-4-methoxy-N-methyl-aniline hydrochloride Openeye Name: N-[[2-(3-bromo-5-ethylsulfonyl-2-methoxy-phenyl)-1-ethyl-pyrrol-3-yl]methyl]-4-methoxy-N-methyl-aniline hydrochloride CAS Name: N-[[2-(3-bromo-5-ethylsulfonyl-2-methoxyphenyl)-1-ethyl-3-pyrrolyl]methyl]-4-methoxy-N-methylaniline hydrochloride IUPAC Name: N-[[2-(3-bromo-5-ethylsulfonyl-2-methoxyphenyl)-1-ethylpyrrol-3-yl]methyl]-4-methoxy-N-methylaniline hydrochloride Traditional Name: [2-(3-bromo-5-esyl-2-methoxy-phenyl)-1-ethyl-pyrrol-3-yl]methyl-(4-methoxyphenyl)-methyl-amine hydrochloride Formula: C24H30BrClN2O4S MolecularWeight: 557.928

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=C1C2=CC(=CC(=C2OC)Br)S(=O)(=O)CC)CN(C)C3=CC=C(C=C3)OC.Cl

Isomeric SMILES

CCN1C=CC(=C1C2=CC(=CC(=C2OC)Br)S(=O)(=O)CC)CN(C)C3=CC=C(C=C3)OC.Cl

InChI

InChI=1S/C24H29BrN2O4S.ClH/c1-6-27-13-12-17(16-26(3)18-8-10-19(30-4)11-9-18)23(27)21-14-20(32(28,29)7-2)15-22(25)24(21)31-5;/h8-15H,6-7,16H2,1-5H3;1H