N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-1-(3,5-dimethylisoxazol-4-yl)sulfonyl-isonipecotamide Formula: C22H29N5O4S2 MolecularWeight: 491.62676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H29N5O4S2/c1-14-20(15(2)31-26-14)33(29,30)27-11-8-16(9-12-27)22(28)25-19(10-13-32-3)21-23-17-6-4-5-7-18(17)24-21/h4-7,16,19H,8-13H2,1-3H3,(H,23,24)(H,25,28)