N-[[5-(3-bromanyl-5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-N-(phenylmethyl)ethanamine hydrochloride

Systemtic Name: N-[[5-(3-bromanyl-5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-N-(phenylmethyl)ethanamine hydrochloride Openeye Name: N-benzyl-N-[[5-(3-bromo-5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]ethanamine hydrochloride CAS Name: N-[[5-(3-bromo-5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-N-(phenylmethyl)ethanamine hydrochloride IUPAC Name: N-benzyl-N-[[5-(3-bromo-5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]ethanamine hydrochloride Traditional Name: benzyl-[[5-(3-bromo-5-esyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-ethyl-amine hydrochloride Formula: C23H28BrClN2O3S MolecularWeight: 527.90202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)CC2=CC=C(N2)C3=CC(=CC(=C3OC)Br)S(=O)(=O)CC.Cl

Isomeric SMILES

CCN(CC1=CC=CC=C1)CC2=CC=C(N2)C3=CC(=CC(=C3OC)Br)S(=O)(=O)CC.Cl

InChI

InChI=1S/C23H27BrN2O3S.ClH/c1-4-26(15-17-9-7-6-8-10-17)16-18-11-12-22(25-18)20-13-19(30(27,28)5-2)14-21(24)23(20)29-3;/h6-14,25H,4-5,15-16H2,1-3H3;1H