N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]ethanamine

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[(1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)methyl]ethanamine Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[[1-ethyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]methyl]ethanamine CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[[1-ethyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]methyl]ethanamine IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methyl]ethanamine Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-[(1-ethyl-5-piperidinosulfonyl-benzimidazol-2-yl)methyl]amine Formula: C26H34N4O4S MolecularWeight: 498.63756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN(CC)CC4COC5=CC=CC=C5O4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CN(CC)C[C@H]4COC5=CC=CC=C5O4

InChI

InChI=1S/C26H34N4O4S/c1-3-28(17-20-19-33-24-10-6-7-11-25(24)34-20)18-26-27-22-16-21(12-13-23(22)30(26)4-2)35(31,32)29-14-8-5-9-15-29/h6-7,10-13,16,20H,3-5,8-9,14-15,17-19H2,1-2H3/t20-/m0/s1