N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(1-methylbenzimidazol-2-yl)sulfanyl-propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)SC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)SC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C22H25ClN4O3S2/c1-15(31-22-25-18-8-4-5-9-20(18)26(22)2)21(28)24-19-14-16(10-11-17(19)23)32(29,30)27-12-6-3-7-13-27/h4-5,8-11,14-15H,3,6-7,12-13H2,1-2H3,(H,24,28)