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

Systemtic Name: 6-chloranyl-N-[(3S)-2-oxidanylidene-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide Openeye Name: 6-chloro-N-[(3S)-2-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]benzothiophene-2-sulfonamide CAS Name: 6-chloro-N-[(3S)-2-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3-pyrrolidinyl]-1-benzothiophene-2-sulfonamide IUPAC Name: 6-chloro-N-[(3S)-2-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide Traditional Name: 6-chloro-N-[(3S)-2-keto-1-(1H-pyrrolo[3,2-c]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=CN=C5

Isomeric SMILES

C1CN(C(=O)[C@H]1NS(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=C(N4)C=CN=C5

InChI

InChI=1S/C20H17ClN4O3S2/c21-14-2-1-12-8-19(29-18(12)9-14)30(27,28)24-17-4-6-25(20(17)26)11-15-7-13-10-22-5-3-16(13)23-15/h1-3,5,7-10,17,23-24H,4,6,11H2/t17-/m0/s1