N-[4-[[3-[(2S)-2-azanyl-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxidanylidene-propyl]-1H-indol-5-yl]oxy]phenyl]methanesulfonamide

Systemtic Name: N-[4-[[3-[(2S)-2-azanyl-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxidanylidene-propyl]-1H-indol-5-yl]oxy]phenyl]methanesulfonamide Openeye Name: N-[4-[[3-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxo-propyl]-1H-indol-5-yl]oxy]phenyl]methanesulfonamide CAS Name: N-[4-[[3-[(2S)-2-amino-3-[(2S)-2-cyano-1-pyrrolidinyl]-3-oxopropyl]-1H-indol-5-yl]oxy]phenyl]methanesulfonamide IUPAC Name: N-[4-[[3-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]-1H-indol-5-yl]oxy]phenyl]methanesulfonamide Traditional Name: N-[4-[[3-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidino]-3-keto-propyl]-1H-indol-5-yl]oxy]phenyl]methanesulfonamide Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)OC2=CC3=C(C=C2)NC=C3CC(C(=O)N4CCCC4C#N)N

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)OC2=CC3=C(C=C2)NC=C3C[C@@H](C(=O)N4CCC[C@H]4C#N)N

InChI

InChI=1S/C23H25N5O4S/c1-33(30,31)27-16-4-6-18(7-5-16)32-19-8-9-22-20(12-19)15(14-26-22)11-21(25)23(29)28-10-2-3-17(28)13-24/h4-9,12,14,17,21,26-27H,2-3,10-11,25H2,1H3/t17-,21-/m0/s1