3-chloranyl-N-[(3S)-2-oxidanylidene-1-[(2S)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]pyrrolidin-3-yl]isoquinoline-7-sulfonamide

Systemtic Name: 3-chloranyl-N-[(3S)-2-oxidanylidene-1-[(2S)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]pyrrolidin-3-yl]isoquinoline-7-sulfonamide Openeye Name: 3-chloro-N-[(3S)-1-[(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethyl]-2-oxo-pyrrolidin-3-yl]isoquinoline-7-sulfonamide CAS Name: 3-chloro-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(1-piperidinyl)propan-2-yl]-3-pyrrolidinyl]-7-isoquinolinesulfonamide IUPAC Name: 3-chloro-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyrrolidin-3-yl]isoquinoline-7-sulfonamide Traditional Name: 3-chloro-N-[(3S)-2-keto-1-[(1S)-2-keto-1-methyl-2-piperidino-ethyl]pyrrolidin-3-yl]isoquinoline-7-sulfonamide Formula: C21H25ClN4O4S MolecularWeight: 464.9656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)N2CCC(C2=O)NS(=O)(=O)C3=CC4=CN=C(C=C4C=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)N1CCCCC1)N2CC[C@@H](C2=O)NS(=O)(=O)C3=CC4=CN=C(C=C4C=C3)Cl

InChI

InChI=1S/C21H25ClN4O4S/c1-14(20(27)25-8-3-2-4-9-25)26-10-7-18(21(26)28)24-31(29,30)17-6-5-15-12-19(22)23-13-16(15)11-17/h5-6,11-14,18,24H,2-4,7-10H2,1H3/t14-,18-/m0/s1