3-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-N-methyl-prop-2-ynamide

Systemtic Name: 3-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-N-methyl-prop-2-ynamide Openeye Name: 3-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-N-methyl-prop-2-ynamide CAS Name: 3-(2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-N-methyl-2-propynamide IUPAC Name: 3-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-N-methylprop-2-ynamide Traditional Name: 3-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-N-methyl-propiolamide Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O3S/c1-9(2)22(20,21)18-12-8-10(5-7-13(19)16-3)4-6-11(12)17-14(18)15/h4,6,8-9H,1-3H3,(H2,15,17)(H,16,19)