(2-prop-2-enylsulfanylbenzimidazol-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: (2-prop-2-enylsulfanylbenzimidazol-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: (2-allylsulfanylbenzimidazol-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [2-(prop-2-enylthio)-1-benzimidazolyl]-[4-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: (2-prop-2-enylsulfanylbenzimidazol-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [2-(allylthio)benzimidazol-1-yl]-(4-pyrrolidinosulfonylphenyl)methanone Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C=CCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H21N3O3S2/c1-2-15-28-21-22-18-7-3-4-8-19(18)24(21)20(25)16-9-11-17(12-10-16)29(26,27)23-13-5-6-14-23/h2-4,7-12H,1,5-6,13-15H2