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

Systemtic Name: 6-[(E)-1-(4-methylphenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine Openeye Name: 1-isopropylsulfonyl-6-[(E)-1-(p-tolyl)but-1-en-3-ynyl]benzimidazol-2-amine CAS Name: 6-[(E)-1-(4-methylphenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonyl-2-benzimidazolamine IUPAC Name: 6-[(E)-1-(4-methylphenyl)but-1-en-3-ynyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine Traditional Name: [1-isopropylsulfonyl-6-[(E)-1-(p-tolyl)but-1-en-3-ynyl]benzimidazol-2-yl]amine Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=CC#C)C2=CC3=C(C=C2)N=C(N3S(=O)(=O)C(C)C)N

Isomeric SMILES

CC1=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/C21H21N3O2S/c1-5-6-18(16-9-7-15(4)8-10-16)17-11-12-19-20(13-17)24(21(22)23-19)27(25,26)14(2)3/h1,6-14H,2-4H3,(H2,22,23)/b18-6+