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

Systemtic Name: 1-[2-(6-chloranylnaphthalen-2-yl)sulfonyl-4-[2-ethyl-1-(triphenylmethyl)imidazol-4-yl]piperidin-1-yl]propan-1-one Openeye Name: 1-[2-[(6-chloro-2-naphthyl)sulfonyl]-4-(2-ethyl-1-trityl-imidazol-4-yl)-1-piperidyl]propan-1-one CAS Name: 1-[2-[(6-chloro-2-naphthalenyl)sulfonyl]-4-[2-ethyl-1-(triphenylmethyl)-4-imidazolyl]-1-piperidinyl]-1-propanone IUPAC Name: 1-[2-(6-chloronaphthalen-2-yl)sulfonyl-4-(2-ethyl-1-tritylimidazol-4-yl)piperidin-1-yl]propan-1-one Traditional Name: 1-[2-[(6-chloro-2-naphthyl)sulfonyl]-4-(2-ethyl-1-trityl-imidazol-4-yl)piperidino]propan-1-one Formula: C42H40ClN3O3S MolecularWeight: 702.3033

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5CCN(C(C5)S(=O)(=O)C6=CC7=C(C=C6)C=C(C=C7)Cl)C(=O)CC

Isomeric SMILES

CCC1=NC(=CN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5CCN(C(C5)S(=O)(=O)C6=CC7=C(C=C6)C=C(C=C7)Cl)C(=O)CC

InChI

InChI=1S/C42H40ClN3O3S/c1-3-39-44-38(29-46(39)42(33-14-8-5-9-15-33,34-16-10-6-11-17-34)35-18-12-7-13-19-35)32-24-25-45(40(47)4-2)41(28-32)50(48,49)37-23-21-30-26-36(43)22-20-31(30)27-37/h5-23,26-27,29,32,41H,3-4,24-25,28H2,1-2H3