N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide Openeye Name: N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[(6-methyl-1H-benzimidazol-2-yl)thio]propanamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide Traditional Name: N-(2-chloro-5-piperidinosulfonyl-phenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)thio]propionamide Formula: C22H25ClN4O3S2 MolecularWeight: 493.0419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SC(C)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)Cl

InChI

InChI=1S/C22H25ClN4O3S2/c1-14-6-9-18-20(12-14)26-22(25-18)31-15(2)21(28)24-19-13-16(7-8-17(19)23)32(29,30)27-10-4-3-5-11-27/h6-9,12-13,15H,3-5,10-11H2,1-2H3,(H,24,28)(H,25,26)