[3-[(2S)-2-azanyl-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxidanylidene-propyl]-1H-indol-5-yl] methanesulfonate

Systemtic Name: [3-[(2S)-2-azanyl-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxidanylidene-propyl]-1H-indol-5-yl] methanesulfonate Openeye Name: [3-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxo-propyl]-1H-indol-5-yl] methanesulfonate CAS Name: methanesulfonic acid [3-[(2S)-2-amino-3-[(2S)-2-cyano-1-pyrrolidinyl]-3-oxopropyl]-1H-indol-5-yl] ester IUPAC Name: [3-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidin-1-yl]-3-oxopropyl]-1H-indol-5-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-[(2S)-2-amino-3-[(2S)-2-cyanopyrrolidino]-3-keto-propyl]-1H-indol-5-yl] ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC2=C(C=C1)NC=C2CC(C(=O)N3CCCC3C#N)N

Isomeric SMILES

CS(=O)(=O)OC1=CC2=C(C=C1)NC=C2C[C@@H](C(=O)N3CCC[C@H]3C#N)N

InChI

InChI=1S/C17H20N4O4S/c1-26(23,24)25-13-4-5-16-14(8-13)11(10-20-16)7-15(19)17(22)21-6-2-3-12(21)9-18/h4-5,8,10,12,15,20H,2-3,6-7,19H2,1H3/t12-,15-/m0/s1