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

Systemtic Name: propan-2-yl (E)-3-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-3-phenyl-prop-2-enoate Openeye Name: isopropyl (E)-3-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-3-phenyl-prop-2-enoate CAS Name: (E)-3-(2-amino-3-propan-2-ylsulfonyl-5-benzimidazolyl)-3-phenyl-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-3-(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-3-phenylprop-2-enoate Traditional Name: (E)-3-(2-amino-3-isopropylsulfonyl-benzimidazol-5-yl)-3-phenyl-acrylic acid isopropyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C=C(C1=CC=CC=C1)C2=CC3=C(C=C2)N=C(N3S(=O)(=O)C(C)C)N

Isomeric SMILES

CC(C)OC(=O)/C=C(\C1=CC=CC=C1)/C2=CC3=C(C=C2)N=C(N3S(=O)(=O)C(C)C)N

InChI

InChI=1S/C22H25N3O4S/c1-14(2)29-21(26)13-18(16-8-6-5-7-9-16)17-10-11-19-20(12-17)25(22(23)24-19)30(27,28)15(3)4/h5-15H,1-4H3,(H2,23,24)/b18-13+