N-[1-(4-ethylpiperidin-1-yl)-1-oxidanylidene-4-[[1-(triphenylmethyl)imidazol-4-yl]methylsulfanyl]butan-2-yl]-3-methyl-quinoline-8-sulfonamide

Systemtic Name: N-[1-(4-ethylpiperidin-1-yl)-1-oxidanylidene-4-[[1-(triphenylmethyl)imidazol-4-yl]methylsulfanyl]butan-2-yl]-3-methyl-quinoline-8-sulfonamide Openeye Name: N-[1-(4-ethylpiperidine-1-carbonyl)-3-[(1-tritylimidazol-4-yl)methylsulfanyl]propyl]-3-methyl-quinoline-8-sulfonamide CAS Name: N-[1-(4-ethyl-1-piperidinyl)-1-oxo-4-[[1-(triphenylmethyl)-4-imidazolyl]methylthio]butan-2-yl]-3-methyl-8-quinolinesulfonamide IUPAC Name: N-[1-(4-ethylpiperidin-1-yl)-1-oxo-4-[(1-tritylimidazol-4-yl)methylsulfanyl]butan-2-yl]-3-methylquinoline-8-sulfonamide Traditional Name: N-[1-(4-ethylpiperidine-1-carbonyl)-3-[(1-tritylimidazol-4-yl)methylthio]propyl]-3-methyl-quinoline-8-sulfonamide Formula: C44H47N5O3S2 MolecularWeight: 758.00568

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(CC1)C(=O)C(CCSCC2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NS(=O)(=O)C6=CC=CC7=CC(=CN=C76)C

Isomeric SMILES

CCC1CCN(CC1)C(=O)C(CCSCC2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NS(=O)(=O)C6=CC=CC7=CC(=CN=C76)C

InChI

InChI=1S/C44H47N5O3S2/c1-3-34-22-25-48(26-23-34)43(50)40(47-54(51,52)41-21-13-14-35-28-33(2)29-45-42(35)41)24-27-53-31-39-30-49(32-46-39)44(36-15-7-4-8-16-36,37-17-9-5-10-18-37)38-19-11-6-12-20-38/h4-21,28-30,32,34,40,47H,3,22-27,31H2,1-2H3