[5-azanyl-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)pyrazol-4-yl]-(5-methoxy-2-oxidanyl-phenyl)methanone

Systemtic Name: [5-azanyl-1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)pyrazol-4-yl]-(5-methoxy-2-oxidanyl-phenyl)methanone Openeye Name: [5-amino-1-(4-morpholinosulfonyl-2-nitro-phenyl)pyrazol-4-yl]-(2-hydroxy-5-methoxy-phenyl)methanone CAS Name: [5-amino-1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-4-pyrazolyl]-(2-hydroxy-5-methoxyphenyl)methanone IUPAC Name: [5-amino-1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)pyrazol-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone Traditional Name: [5-amino-1-(4-morpholinosulfonyl-2-nitro-phenyl)pyrazol-4-yl]-(2-hydroxy-5-methoxy-phenyl)methanone Formula: C21H21N5O8S MolecularWeight: 503.48514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C(=O)C2=C(N(N=C2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])N

Isomeric SMILES

COC1=CC(=C(C=C1)O)C(=O)C2=C(N(N=C2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-])N

InChI

InChI=1S/C21H21N5O8S/c1-33-13-2-5-19(27)15(10-13)20(28)16-12-23-25(21(16)22)17-4-3-14(11-18(17)26(29)30)35(31,32)24-6-8-34-9-7-24/h2-5,10-12,27H,6-9,22H2,1H3