N-[(3S)-2-oxidanylidene-1-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-thiophene-2-sulfonamide

Systemtic Name: N-[(3S)-2-oxidanylidene-1-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-thiophene-2-sulfonamide Openeye Name: N-[(3S)-2-oxo-1-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)pyrrolidin-3-yl]-5-(4-pyridyl)thiophene-2-sulfonamide CAS Name: N-[(3S)-2-oxo-1-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)-3-pyrrolidinyl]-5-pyridin-4-yl-2-thiophenesulfonamide IUPAC Name: N-[(3S)-2-oxo-1-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-4-ylthiophene-2-sulfonamide Traditional Name: N-[(3S)-2-keto-1-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)pyrrolidin-3-yl]-5-(4-pyridyl)thiophene-2-sulfonamide Formula: C21H19N5O3S2 MolecularWeight: 453.53726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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