N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-3-nitro-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methyl-3-nitro-benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H23N3O5S/c1-15-18(7-6-8-19(15)23(25)26)20(24)21-16-9-11-17(12-10-16)29(27,28)22-13-4-2-3-5-14-22/h6-12H,2-5,13-14H2,1H3,(H,21,24)