1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-en-1-one

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-en-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propen-1-one IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-en-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-en-1-one Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H24N2O7S/c1-31-21-15-16(14-19(22(21)26)24(27)28)6-11-20(25)17-7-9-18(10-8-17)32(29,30)23-12-4-2-3-5-13-23/h6-11,14-15,26H,2-5,12-13H2,1H3