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

Systemtic Name: N-[(3S)-2-oxidanylidene-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-4-yl-thiophene-2-sulfonamide Openeye Name: N-[(3S)-2-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]-5-(4-pyridyl)thiophene-2-sulfonamide CAS Name: N-[(3S)-2-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3-pyrrolidinyl]-5-pyridin-4-yl-2-thiophenesulfonamide IUPAC Name: N-[(3S)-2-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]-5-pyridin-4-ylthiophene-2-sulfonamide Traditional Name: N-[(3S)-2-keto-1-(1H-pyrrolo[3,2-c]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=CN=C5

Isomeric SMILES

C1CN(C(=O)[C@H]1NS(=O)(=O)C2=CC=C(S2)C3=CC=NC=C3)CC4=CC5=C(N4)C=CN=C5

InChI

InChI=1S/C21H19N5O3S2/c27-21-18(6-10-26(21)13-16-11-15-12-23-9-5-17(15)24-16)25-31(28,29)20-2-1-19(30-20)14-3-7-22-8-4-14/h1-5,7-9,11-12,18,24-25H,6,10,13H2/t18-/m0/s1