(E)-3-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-N-methyl-3-phenyl-prop-2-enamide

Systemtic Name: (E)-3-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-N-methyl-3-phenyl-prop-2-enamide Openeye Name: (E)-3-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-N-methyl-3-phenyl-prop-2-enamide CAS Name: (E)-3-(2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-N-methyl-3-phenyl-2-propenamide IUPAC Name: (E)-3-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-N-methyl-3-phenylprop-2-enamide Traditional Name: (E)-3-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-N-methyl-3-phenyl-acrylamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O3S/c1-13(2)28(26,27)24-18-11-15(9-10-17(18)23-20(24)21)16(12-19(25)22-3)14-7-5-4-6-8-14/h4-13H,1-3H3,(H2,21,23)(H,22,25)/b16-12+