N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]ethanamine

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]ethanamine Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(5-ethylsulfonyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl]ethanamine CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]ethanamine IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[[5-(5-ethylsulfonyl-2-methoxyphenyl)-1H-pyrrol-2-yl]methyl]ethanamine Traditional Name: [5-(5-esyl-2-methoxy-phenyl)-1H-pyrrol-2-yl]methyl-ethyl-piperonyl-amine Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)CC3=CC=C(N3)C4=C(C=CC(=C4)S(=O)(=O)CC)OC

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)CC3=CC=C(N3)C4=C(C=CC(=C4)S(=O)(=O)CC)OC

InChI

InChI=1S/C24H28N2O5S/c1-4-26(14-17-6-10-23-24(12-17)31-16-30-23)15-18-7-9-21(25-18)20-13-19(32(27,28)5-2)8-11-22(20)29-3/h6-13,25H,4-5,14-16H2,1-3H3