6-[(Z)-1-phenylbut-1-en-3-ynyl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine

Systemtic Name: 6-[(Z)-1-phenylbut-1-en-3-ynyl]-1-propan-2-ylsulfonyl-benzimidazol-2-amine Openeye Name: 1-isopropylsulfonyl-6-[(Z)-1-phenylbut-1-en-3-ynyl]benzimidazol-2-amine CAS Name: 6-[(Z)-1-phenylbut-1-en-3-ynyl]-1-propan-2-ylsulfonyl-2-benzimidazolamine IUPAC Name: 6-[(Z)-1-phenylbut-1-en-3-ynyl]-1-propan-2-ylsulfonylbenzimidazol-2-amine Traditional Name: [1-isopropylsulfonyl-6-[(Z)-1-phenylbut-1-en-3-ynyl]benzimidazol-2-yl]amine Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(=CC#C)C3=CC=CC=C3)N=C1N

Isomeric SMILES

CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)/C(=C\C#C)/C3=CC=CC=C3)N=C1N

InChI

InChI=1S/C20H19N3O2S/c1-4-8-17(15-9-6-5-7-10-15)16-11-12-18-19(13-16)23(20(21)22-18)26(24,25)14(2)3/h1,5-14H,2-3H3,(H2,21,22)/b17-8-