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

Systemtic Name: 6-chloranyl-N-[(3S)-2-oxidanylidene-1-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)pyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide Openeye Name: 6-chloro-N-[(3S)-2-oxo-1-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)pyrrolidin-3-yl]benzothiophene-2-sulfonamide CAS Name: 6-chloro-N-[(3S)-2-oxo-1-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)-3-pyrrolidinyl]-1-benzothiophene-2-sulfonamide IUPAC Name: 6-chloro-N-[(3S)-2-oxo-1-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)pyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide Traditional Name: 6-chloro-N-[(3S)-2-keto-1-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)pyrrolidin-3-yl]benzothiophene-2-sulfonamide Formula: C20H17ClN4O3S2 MolecularWeight: 460.95698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NS(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=C(N4)C=CC=N5

Isomeric SMILES

C1CN(C(=O)[C@H]1NS(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=C(N4)C=CC=N5

InChI

InChI=1S/C20H17ClN4O3S2/c21-13-4-3-12-8-19(29-18(12)9-13)30(27,28)24-16-5-7-25(20(16)26)11-14-10-17-15(23-14)2-1-6-22-17/h1-4,6,8-10,16,23-24H,5,7,11H2/t16-/m0/s1