5-chloranyl-3-methyl-N-[(3S)-2-oxidanylidene-1-(1H-pyrrolo[3,2-c]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-c]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-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]benzothiophene-2-sulfonamide CAS Name: 5-chloro-3-methyl-N-[(3S)-2-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-3-pyrrolidinyl]-1-benzothiophene-2-sulfonamide IUPAC Name: 5-chloro-3-methyl-N-[(3S)-2-oxo-1-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide Traditional Name: 5-chloro-N-[(3S)-2-keto-1-(1H-pyrrolo[3,2-c]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=CN=C5

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N[C@H]3CCN(C3=O)CC4=CC5=C(N4)C=CN=C5

InChI

InChI=1S/C21H19ClN4O3S2/c1-12-16-9-14(22)2-3-19(16)30-21(12)31(28,29)25-18-5-7-26(20(18)27)11-15-8-13-10-23-6-4-17(13)24-15/h2-4,6,8-10,18,24-25H,5,7,11H2,1H3/t18-/m0/s1