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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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