N-[3-(benzimidazol-1-yl)propyl]-1-(4-bromophenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[3-(benzimidazol-1-yl)propyl]-1-(4-bromophenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[3-(benzimidazol-1-yl)propyl]-1-(4-bromophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: N-[3-(1-benzimidazolyl)propyl]-1-(4-bromophenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[3-(benzimidazol-1-yl)propyl]-1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[3-(benzimidazol-1-yl)propyl]-1-brosyl-pyrrolidine-2-carboxamide Formula: C21H23BrN4O3S MolecularWeight: 491.40132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCCCN3C=NC4=CC=CC=C43

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCCCN3C=NC4=CC=CC=C43

InChI

InChI=1S/C21H23BrN4O3S/c22-16-8-10-17(11-9-16)30(28,29)26-14-3-7-20(26)21(27)23-12-4-13-25-15-24-18-5-1-2-6-19(18)25/h1-2,5-6,8-11,15,20H,3-4,7,12-14H2,(H,23,27)