N-[3-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]piperidine-1-sulfonamide

Systemtic Name: N-[3-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]piperidine-1-sulfonamide Openeye Name: N-[3-[[(3R)-3-(5-isoquinolylamino)pyrrolidin-1-yl]methyl]phenyl]piperidine-1-sulfonamide CAS Name: N-[3-[[(3R)-3-(5-isoquinolinylamino)-1-pyrrolidinyl]methyl]phenyl]-1-piperidinesulfonamide IUPAC Name: N-[3-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]piperidine-1-sulfonamide Traditional Name: N-[3-[[(3R)-3-(5-isoquinolylamino)pyrrolidino]methyl]phenyl]piperidine-1-sulfonamide Formula: C25H31N5O2S MolecularWeight: 465.61094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)NC2=CC=CC(=C2)CN3CCC(C3)NC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)NC2=CC=CC(=C2)CN3CC[C@H](C3)NC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C25H31N5O2S/c31-33(32,30-13-2-1-3-14-30)28-22-8-4-6-20(16-22)18-29-15-11-23(19-29)27-25-9-5-7-21-17-26-12-10-24(21)25/h4-10,12,16-17,23,27-28H,1-3,11,13-15,18-19H2/t23-/m1/s1