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

Systemtic Name: N-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-N-(phenylmethyl)ethanamine hydrochloride Openeye Name: N-benzyl-N-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]ethanamine hydrochloride CAS Name: N-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-N-(phenylmethyl)ethanamine hydrochloride IUPAC Name: N-benzyl-N-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]ethanamine hydrochloride Traditional Name: benzyl-[[5-(5-esyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-ethyl-amine hydrochloride Formula: C23H29ClN2O3S MolecularWeight: 449.00596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3S.ClH/c1-4-25(16-18-9-7-6-8-10-18)17-19-11-13-22(24-19)21-15-20(29(26,27)5-2)12-14-23(21)28-3;/h6-15,24H,4-5,16-17H2,1-3H3;1H