3-[[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one

Systemtic Name: 3-[[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one Openeye Name: 3-[[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]methyl]-4,6-dimethyl-1H-pyridin-2-one CAS Name: 3-[[4-(1-azepanylsulfonyl)-2-nitroanilino]methyl]-4,6-dimethyl-1H-pyridin-2-one IUPAC Name: 3-[[4-(azepan-1-ylsulfonyl)-2-nitroanilino]methyl]-4,6-dimethyl-1H-pyridin-2-one Traditional Name: 3-[[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]methyl]-4,6-dimethyl-2-pyridone Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=O)N1)CNC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C20H26N4O5S/c1-14-11-15(2)22-20(25)17(14)13-21-18-8-7-16(12-19(18)24(26)27)30(28,29)23-9-5-3-4-6-10-23/h7-8,11-12,21H,3-6,9-10,13H2,1-2H3,(H,22,25)