2-[[1-(1-benzothiophen-5-ylmethylsulfonyl)-3-phenylmethoxy-propan-2-yl]amino]ethanenitrile

Systemtic Name: 2-[[1-(1-benzothiophen-5-ylmethylsulfonyl)-3-phenylmethoxy-propan-2-yl]amino]ethanenitrile Openeye Name: 2-[[1-(benzothiophen-5-ylmethylsulfonylmethyl)-2-benzyloxy-ethyl]amino]acetonitrile CAS Name: 2-[[1-(1-benzothiophen-5-ylmethylsulfonyl)-3-phenylmethoxypropan-2-yl]amino]acetonitrile IUPAC Name: 2-[[1-(1-benzothiophen-5-ylmethylsulfonyl)-3-phenylmethoxypropan-2-yl]amino]acetonitrile Traditional Name: 2-[[1-(benzothiophen-5-ylmethylsulfonylmethyl)-2-benzoxy-ethyl]amino]acetonitrile Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(CS(=O)(=O)CC2=CC3=C(C=C2)SC=C3)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)COCC(CS(=O)(=O)CC2=CC3=C(C=C2)SC=C3)NCC#N

InChI

InChI=1S/C21H22N2O3S2/c22-9-10-23-20(14-26-13-17-4-2-1-3-5-17)16-28(24,25)15-18-6-7-21-19(12-18)8-11-27-21/h1-8,11-12,20,23H,10,13-16H2