(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl (E)-3-(3-bromophenyl)prop-2-enoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-2-propenoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl (E)-3-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)acrylic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C=CC3=CC(=CC=C3)Br

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)/C=C/C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H22BrN3O4S/c1-2-3-11-25-19-9-8-17(30(23,27)28)13-18(19)24-20(25)14-29-21(26)10-7-15-5-4-6-16(22)12-15/h4-10,12-13H,2-3,11,14H2,1H3,(H2,23,27,28)/b10-7+