N-[5-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]-2-methyl-phenyl]methanesulfonamide

Systemtic Name: N-[5-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]-2-methyl-phenyl]methanesulfonamide Openeye Name: N-[5-[[(3R)-3-(5-isoquinolylamino)pyrrolidin-1-yl]methyl]-2-methyl-phenyl]methanesulfonamide CAS Name: N-[5-[[(3R)-3-(5-isoquinolinylamino)-1-pyrrolidinyl]methyl]-2-methylphenyl]methanesulfonamide IUPAC Name: N-[5-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]-2-methylphenyl]methanesulfonamide Traditional Name: N-[5-[[(3R)-3-(5-isoquinolylamino)pyrrolidino]methyl]-2-methyl-phenyl]methanesulfonamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CCC(C2)NC3=CC=CC4=C3C=CN=C4)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CC[C@H](C2)NC3=CC=CC4=C3C=CN=C4)NS(=O)(=O)C

InChI

InChI=1S/C22H26N4O2S/c1-16-6-7-17(12-22(16)25-29(2,27)28)14-26-11-9-19(15-26)24-21-5-3-4-18-13-23-10-8-20(18)21/h3-8,10,12-13,19,24-25H,9,11,14-15H2,1-2H3/t19-/m1/s1