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

Systemtic Name: N-[[5-(3-bromanyl-5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-N-(phenylmethyl)ethanamine Openeye Name: N-benzyl-N-[[5-(3-bromo-5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]ethanamine CAS Name: N-[[5-(3-bromo-5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]-N-(phenylmethyl)ethanamine IUPAC Name: N-benzyl-N-[[5-(3-bromo-5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]ethanamine Traditional Name: benzyl-[[5-(3-bromo-5-esyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]-ethyl-amine Formula: C23H27BrN2O3S MolecularWeight: 491.44108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN2O3S/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