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

Systemtic Name: N-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-propanamide Openeye Name: 2-(1-allylbenzimidazol-2-yl)sulfanyl-N-[2-chloro-5-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: N-[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]propanamide IUPAC Name: N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: 2-[(1-allylbenzimidazol-2-yl)thio]-N-(2-chloro-5-piperidinosulfonyl-phenyl)propionamide Formula: C24H27ClN4O3S2 MolecularWeight: 519.07918

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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=C4N3CC=C

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)Cl)SC3=NC4=CC=CC=C4N3CC=C

InChI

InChI=1S/C24H27ClN4O3S2/c1-3-13-29-22-10-6-5-9-20(22)27-24(29)33-17(2)23(30)26-21-16-18(11-12-19(21)25)34(31,32)28-14-7-4-8-15-28/h3,5-6,9-12,16-17H,1,4,7-8,13-15H2,2H3,(H,26,30)