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

Systemtic Name: ethyl (E)-3-(2-azanyl-3-propan-2-ylsulfonyl-benzimidazol-5-yl)-3-phenyl-prop-2-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-4-28-20(25)13-17(15-8-6-5-7-9-15)16-10-11-18-19(12-16)24(21(22)23-18)29(26,27)14(2)3/h5-14H,4H2,1-3H3,(H2,22,23)/b17-13+