2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)ethyl 4-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylamino]-4-oxidanylidene-butanoate

Systemtic Name: 2-(1-methyl-4-nitrososulfanyl-piperidin-4-yl)ethyl 4-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylamino]-4-oxidanylidene-butanoate Openeye Name: 2-(1-methyl-4-nitrososulfanyl-4-piperidyl)ethyl 4-[[4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]sulfonylamino]-4-oxo-butanoate CAS Name: 4-[[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonylamino]-4-oxobutanoic acid 2-[1-methyl-4-(nitrosothio)-4-piperidinyl]ethyl ester IUPAC Name: 2-(1-methyl-4-nitrososulfanylpiperidin-4-yl)ethyl 4-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]sulfonylamino]butyric acid 2-[1-methyl-4-(nitrosothio)-4-piperidyl]ethyl ester Formula: C28H32N4O7S2 MolecularWeight: 600.70628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NC(=O)CCC(=O)OCCC4(CCN(CC4)C)SN=O

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)NC(=O)CCC(=O)OCCC4(CCN(CC4)C)SN=O

InChI

InChI=1S/C28H32N4O7S2/c1-20-26(27(29-39-20)22-6-4-3-5-7-22)21-8-10-23(11-9-21)41(36,37)30-24(33)12-13-25(34)38-19-16-28(40-31-35)14-17-32(2)18-15-28/h3-11H,12-19H2,1-2H3,(H,30,33)