ethyl (2S)-3-[2-(1-oxidanylidene-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)ethanoylamino]-2-(phenylsulfonylamino)propanoate

Systemtic Name: ethyl (2S)-3-[2-(1-oxidanylidene-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)ethanoylamino]-2-(phenylsulfonylamino)propanoate Openeye Name: ethyl (2S)-2-(benzenesulfonamido)-3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]propanoate CAS Name: (2S)-2-(benzenesulfonamido)-3-[[1-oxo-2-[1-oxo-7-(1-piperazinyl)-3,4-dihydroisoquinolin-2-yl]ethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-(benzenesulfonamido)-3-[[2-(1-oxo-7-piperazin-1-yl-3,4-dihydroisoquinolin-2-yl)acetyl]amino]propanoate Traditional Name: (2S)-2-(benzenesulfonamido)-3-[[2-(1-keto-7-piperazino-3,4-dihydroisoquinolin-2-yl)acetyl]amino]propionic acid ethyl ester Formula: C26H33N5O6S MolecularWeight: 543.63512

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC(=O)CN1CCC2=C(C1=O)C=C(C=C2)N3CCNCC3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H](CNC(=O)CN1CCC2=C(C1=O)C=C(C=C2)N3CCNCC3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H33N5O6S/c1-2-37-26(34)23(29-38(35,36)21-6-4-3-5-7-21)17-28-24(32)18-31-13-10-19-8-9-20(16-22(19)25(31)33)30-14-11-27-12-15-30/h3-9,16,23,27,29H,2,10-15,17-18H2,1H3,(H,28,32)/t23-/m0/s1