(4-morpholin-4-ylsulfonylphenyl)-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)methanone

Systemtic Name: (4-morpholin-4-ylsulfonylphenyl)-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)methanone Openeye Name: (4-morpholinosulfonylphenyl)-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)methanone CAS Name: [4-(4-morpholinylsulfonyl)phenyl]-[2-(prop-2-ynylthio)-1-benzimidazolyl]methanone IUPAC Name: (4-morpholin-4-ylsulfonylphenyl)-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)methanone Traditional Name: (4-morpholinosulfonylphenyl)-[2-(propargylthio)benzimidazol-1-yl]methanone Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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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)N4CCOCC4

Isomeric SMILES

C#CCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H19N3O4S2/c1-2-15-29-21-22-18-5-3-4-6-19(18)24(21)20(25)16-7-9-17(10-8-16)30(26,27)23-11-13-28-14-12-23/h1,3-10H,11-15H2