1-azanyl-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyrrolidin-3-yl]isoquinoline-7-sulfonamide

Systemtic Name: 1-azanyl-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyrrolidin-3-yl]isoquinoline-7-sulfonamide Openeye Name: 1-amino-N-[(3S)-1-[(1S)-1-methyl-2-morpholino-2-oxo-ethyl]-2-oxo-pyrrolidin-3-yl]isoquinoline-7-sulfonamide CAS Name: 1-amino-N-[(3S)-1-[(2S)-1-(4-morpholinyl)-1-oxopropan-2-yl]-2-oxo-3-pyrrolidinyl]-7-isoquinolinesulfonamide IUPAC Name: 1-amino-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]isoquinoline-7-sulfonamide Traditional Name: 1-amino-N-[(3S)-2-keto-1-[(1S)-2-keto-1-methyl-2-morpholino-ethyl]pyrrolidin-3-yl]isoquinoline-7-sulfonamide Formula: C20H25N5O5S MolecularWeight: 447.508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)C3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

C[C@@H](C(=O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)C3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C20H25N5O5S/c1-13(19(26)24-8-10-30-11-9-24)25-7-5-17(20(25)27)23-31(28,29)15-3-2-14-4-6-22-18(21)16(14)12-15/h2-4,6,12-13,17,23H,5,7-11H2,1H3,(H2,21,22)/t13-,17-/m0/s1