N-[(3S)-2-oxidanylidene-1-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-2-yl-thiophene-2-sulfonamide

Systemtic Name: N-[(3S)-2-oxidanylidene-1-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-2-yl-thiophene-2-sulfonamide Openeye Name: N-[(3S)-2-oxo-1-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)pyrrolidin-3-yl]-5-(2-pyridyl)thiophene-2-sulfonamide CAS Name: N-[(3S)-2-oxo-1-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)-3-pyrrolidinyl]-5-(2-pyridinyl)-2-thiophenesulfonamide IUPAC Name: N-[(3S)-2-oxo-1-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-2-ylthiophene-2-sulfonamide Traditional Name: N-[(3S)-2-keto-1-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)pyrrolidin-3-yl]-5-(2-pyridyl)thiophene-2-sulfonamide Formula: C21H19N5O3S2 MolecularWeight: 453.53726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NS(=O)(=O)C2=CC=C(S2)C3=CC=CC=N3)CC4=CC5=C(N4)C=CC=N5

Isomeric SMILES

C1CN(C(=O)[C@H]1NS(=O)(=O)C2=CC=C(S2)C3=CC=CC=N3)CC4=CC5=C(N4)C=CC=N5

InChI

InChI=1S/C21H19N5O3S2/c27-21-17(8-11-26(21)13-14-12-18-15(24-14)5-3-10-23-18)25-31(28,29)20-7-6-19(30-20)16-4-1-2-9-22-16/h1-7,9-10,12,17,24-25H,8,11,13H2/t17-/m0/s1