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

Systemtic Name: 5-chloranyl-3-methyl-N-[(3S)-2-oxidanylidene-1-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)pyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide Openeye Name: 5-chloro-3-methyl-N-[(3S)-2-oxo-1-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)pyrrolidin-3-yl]benzothiophene-2-sulfonamide CAS Name: 5-chloro-3-methyl-N-[(3S)-2-oxo-1-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)-3-pyrrolidinyl]-1-benzothiophene-2-sulfonamide IUPAC Name: 5-chloro-3-methyl-N-[(3S)-2-oxo-1-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)pyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide Traditional Name: 5-chloro-N-[(3S)-2-keto-1-(1H-pyrrolo[3,2-b]pyridin-2-ylmethyl)pyrrolidin-3-yl]-3-methyl-benzothiophene-2-sulfonamide Formula: C21H19ClN4O3S2 MolecularWeight: 474.98356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3CCN(C3=O)CC4=CC5=C(N4)C=CC=N5

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)CC4=CC5=C(N4)C=CC=N5

InChI

InChI=1S/C21H19ClN4O3S2/c1-12-15-9-13(22)4-5-19(15)30-21(12)31(28,29)25-17-6-8-26(20(17)27)11-14-10-18-16(24-14)3-2-7-23-18/h2-5,7,9-10,17,24-25H,6,8,11H2,1H3/t17-/m0/s1