N-[1-(1,3-benzodioxol-5-yl)-2-[3-(methylsulfonylmethyl)-4-phenylmethoxy-phenyl]ethyl]propan-2-amine

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)-2-[3-(methylsulfonylmethyl)-4-phenylmethoxy-phenyl]ethyl]propan-2-amine Openeye Name: N-[1-(1,3-benzodioxol-5-yl)-2-[4-benzyloxy-3-(methylsulfonylmethyl)phenyl]ethyl]propan-2-amine CAS Name: N-[1-(1,3-benzodioxol-5-yl)-2-[3-(methylsulfonylmethyl)-4-phenylmethoxyphenyl]ethyl]-2-propanamine IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)-2-[3-(methylsulfonylmethyl)-4-phenylmethoxyphenyl]ethyl]propan-2-amine Traditional Name: [1-(1,3-benzodioxol-5-yl)-2-[4-benzoxy-3-(mesylmethyl)phenyl]ethyl]-isopropyl-amine Formula: C27H31NO5S MolecularWeight: 481.60374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)CS(=O)(=O)C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)NC(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)CS(=O)(=O)C)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H31NO5S/c1-19(2)28-24(22-10-12-26-27(15-22)33-18-32-26)14-21-9-11-25(23(13-21)17-34(3,29)30)31-16-20-7-5-4-6-8-20/h4-13,15,19,24,28H,14,16-18H2,1-3H3