1-propan-2-ylsulfonyl-6-[(E)-3,3,3-trideuterio-1-phenyl-prop-1-enyl]benzimidazol-2-amine

Systemtic Name: 1-propan-2-ylsulfonyl-6-[(E)-3,3,3-trideuterio-1-phenyl-prop-1-enyl]benzimidazol-2-amine Openeye Name: 1-isopropylsulfonyl-6-[(E)-3,3,3-trideuterio-1-phenyl-prop-1-enyl]benzimidazol-2-amine CAS Name: 1-propan-2-ylsulfonyl-6-[(E)-3,3,3-trideuterio-1-phenylprop-1-enyl]-2-benzimidazolamine IUPAC Name: 1-propan-2-ylsulfonyl-6-[(E)-3,3,3-trideuterio-1-phenylprop-1-enyl]benzimidazol-2-amine Traditional Name: [1-isopropylsulfonyl-6-[(E)-3,3,3-trideuterio-1-phenyl-prop-1-enyl]benzimidazol-2-yl]amine Formula: C19H21N3O2S MolecularWeight: 358.472425

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C1=CC=CC=C1)C2=CC3=C(C=C2)N=C(N3S(=O)(=O)C(C)C)N

Isomeric SMILES

[2H]C([2H])([2H])/C=C(\C1=CC=CC=C1)/C2=CC3=C(C=C2)N=C(N3S(=O)(=O)C(C)C)N

InChI

InChI=1S/C19H21N3O2S/c1-4-16(14-8-6-5-7-9-14)15-10-11-17-18(12-15)22(19(20)21-17)25(23,24)13(2)3/h4-13H,1-3H3,(H2,20,21)/b16-4+/i1D3