(2S)-2-[[2-methoxy-3-(1-methyl-2-oxidanylidene-pyridin-3-yl)phenyl]sulfonylamino]-3-oxidanylidene-3-(4-propan-2-ylpiperazin-1-yl)propanamide

Systemtic Name: (2S)-2-[[2-methoxy-3-(1-methyl-2-oxidanylidene-pyridin-3-yl)phenyl]sulfonylamino]-3-oxidanylidene-3-(4-propan-2-ylpiperazin-1-yl)propanamide Openeye Name: (2S)-3-(4-isopropylpiperazin-1-yl)-2-[[2-methoxy-3-(1-methyl-2-oxo-3-pyridyl)phenyl]sulfonylamino]-3-oxo-propanamide CAS Name: (2S)-2-[[2-methoxy-3-(1-methyl-2-oxo-3-pyridinyl)phenyl]sulfonylamino]-3-oxo-3-(4-propan-2-yl-1-piperazinyl)propanamide IUPAC Name: (2S)-2-[[2-methoxy-3-(1-methyl-2-oxopyridin-3-yl)phenyl]sulfonylamino]-3-oxo-3-(4-propan-2-ylpiperazin-1-yl)propanamide Traditional Name: (2S)-3-(4-isopropylpiperazino)-3-keto-2-[[3-(2-keto-1-methyl-3-pyridyl)-2-methoxy-phenyl]sulfonylamino]propionamide Formula: C23H31N5O6S MolecularWeight: 505.58714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C(=O)C(C(=O)N)NS(=O)(=O)C2=CC=CC(=C2OC)C3=CC=CN(C3=O)C

Isomeric SMILES

CC(C)N1CCN(CC1)C(=O)[C@H](C(=O)N)NS(=O)(=O)C2=CC=CC(=C2OC)C3=CC=CN(C3=O)C

InChI

InChI=1S/C23H31N5O6S/c1-15(2)27-11-13-28(14-12-27)23(31)19(21(24)29)25-35(32,33)18-9-5-7-16(20(18)34-4)17-8-6-10-26(3)22(17)30/h5-10,15,19,25H,11-14H2,1-4H3,(H2,24,29)/t19-/m0/s1