1-[2-(6-chloranylnaphthalen-2-yl)sulfonyl-4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one

Systemtic Name: 1-[2-(6-chloranylnaphthalen-2-yl)sulfonyl-4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one Openeye Name: 1-[2-[(6-chloro-2-naphthyl)sulfonyl]-4-(1H-imidazol-5-yl)-1-piperidyl]propan-1-one CAS Name: 1-[2-[(6-chloro-2-naphthalenyl)sulfonyl]-4-(1H-imidazol-5-yl)-1-piperidinyl]-1-propanone IUPAC Name: 1-[2-(6-chloronaphthalen-2-yl)sulfonyl-4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one Traditional Name: 1-[2-[(6-chloro-2-naphthyl)sulfonyl]-4-(1H-imidazol-5-yl)piperidino]propan-1-one Formula: C21H22ClN3O3S MolecularWeight: 431.93568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC(CC1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C4=CN=CN4

Isomeric SMILES

CCC(=O)N1CCC(CC1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C4=CN=CN4

InChI

InChI=1S/C21H22ClN3O3S/c1-2-20(26)25-8-7-16(19-12-23-13-24-19)11-21(25)29(27,28)18-6-4-14-9-17(22)5-3-15(14)10-18/h3-6,9-10,12-13,16,21H,2,7-8,11H2,1H3,(H,23,24)