N-(4-fluorophenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]isoquinoline-5-sulfonamide

Systemtic Name: N-(4-fluorophenyl)-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]isoquinoline-5-sulfonamide Openeye Name: N-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-N-(4-fluorophenyl)isoquinoline-5-sulfonamide CAS Name: N-(4-fluorophenyl)-N-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-5-isoquinolinesulfonamide IUPAC Name: N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-(4-fluorophenyl)isoquinoline-5-sulfonamide Traditional Name: N-[2-(4-benzylpiperidino)-2-keto-ethyl]-N-(4-fluorophenyl)isoquinoline-5-sulfonamide Formula: C29H28FN3O3S MolecularWeight: 517.614323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CN(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C29H28FN3O3S/c30-25-9-11-26(12-10-25)33(37(35,36)28-8-4-7-24-20-31-16-13-27(24)28)21-29(34)32-17-14-23(15-18-32)19-22-5-2-1-3-6-22/h1-13,16,20,23H,14-15,17-19,21H2