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

Systemtic Name: (4-piperidin-1-ylsulfonylphenyl)-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)methanone Openeye Name: [4-(1-piperidylsulfonyl)phenyl]-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)methanone CAS Name: [4-(1-piperidinylsulfonyl)phenyl]-[2-(prop-2-ynylthio)-1-benzimidazolyl]methanone IUPAC Name: (4-piperidin-1-ylsulfonylphenyl)-(2-prop-2-ynylsulfanylbenzimidazol-1-yl)methanone Traditional Name: (4-piperidinosulfonylphenyl)-[2-(propargylthio)benzimidazol-1-yl]methanone Formula: C22H21N3O3S2 MolecularWeight: 439.55044

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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)N4CCCCC4

Isomeric SMILES

C#CCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H21N3O3S2/c1-2-16-29-22-23-19-8-4-5-9-20(19)25(22)21(26)17-10-12-18(13-11-17)30(27,28)24-14-6-3-7-15-24/h1,4-5,8-13H,3,6-7,14-16H2