[2-acetamido-3-[[4-(hydroxymethyl)phenyl]sulfonylamino]-3-oxidanylidene-propyl] 4-nitrooxybutanoate

Systemtic Name: [2-acetamido-3-[[4-(hydroxymethyl)phenyl]sulfonylamino]-3-oxidanylidene-propyl] 4-nitrooxybutanoate Openeye Name: [2-acetamido-3-[[4-(hydroxymethyl)phenyl]sulfonylamino]-3-oxo-propyl] 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid [2-acetamido-3-[[4-(hydroxymethyl)phenyl]sulfonylamino]-3-oxopropyl] ester IUPAC Name: [2-acetamido-3-[[4-(hydroxymethyl)phenyl]sulfonylamino]-3-oxopropyl] 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid [2-acetamido-3-keto-3-[(4-methylolphenyl)sulfonylamino]propyl] ester Formula: C16H21N3O10S MolecularWeight: 447.41704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(COC(=O)CCCO[N+](=O)[O-])C(=O)NS(=O)(=O)C1=CC=C(C=C1)CO

Isomeric SMILES

CC(=O)NC(COC(=O)CCCO[N+](=O)[O-])C(=O)NS(=O)(=O)C1=CC=C(C=C1)CO

InChI

InChI=1S/C16H21N3O10S/c1-11(21)17-14(10-28-15(22)3-2-8-29-19(24)25)16(23)18-30(26,27)13-6-4-12(9-20)5-7-13/h4-7,14,20H,2-3,8-10H2,1H3,(H,17,21)(H,18,23)