6-[(E)-1-(4-ethoxyphenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine

Systemtic Name: 6-[(E)-1-(4-ethoxyphenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine Openeye Name: 6-[(E)-1-(4-ethoxyphenyl)but-1-en-3-ynyl]-1-isopropylsulfonyl-benzimidazol-2-amine CAS Name: 6-[(E)-1-(4-ethoxyphenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonyl-2-benzimidazolamine IUPAC Name: 6-[(E)-1-(4-ethoxyphenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine Traditional Name: [1-isopropylsulfonyl-6-[(E)-1-p-phenetylbut-1-en-3-ynyl]benzimidazol-2-yl]amine Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=CC#C)C2=CC3=C(C=C2)N=C(N3S(=O)(=O)C(C)C)N

Isomeric SMILES

CCOC1=CC=C(C=C1)/C(=C\C#C)/C2=CC3=C(C=C2)N=C(N3S(=O)(=O)C(C)C)N

InChI

InChI=1S/C22H23N3O3S/c1-5-7-19(16-8-11-18(12-9-16)28-6-2)17-10-13-20-21(14-17)25(22(23)24-20)29(26,27)15(3)4/h1,7-15H,6H2,2-4H3,(H2,23,24)/b19-7+