(E)-3-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-3-phenyl-prop-2-enoic acid

Systemtic Name: (E)-3-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-3-phenyl-prop-2-enoic acid Openeye Name: (E)-3-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-3-phenyl-prop-2-enoic acid CAS Name: (E)-3-(2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-3-phenyl-2-propenoic acid IUPAC Name: (E)-3-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-phenylprop-2-enoic acid Traditional Name: (E)-3-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-3-phenyl-acrylic acid Formula: C19H19N3O4S MolecularWeight: 385.43686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S/c1-12(2)27(25,26)22-17-10-14(8-9-16(17)21-19(22)20)15(11-18(23)24)13-6-4-3-5-7-13/h3-12H,1-2H3,(H2,20,21)(H,23,24)/b15-11+