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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(methylamino)-3-nitro-benzamide Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5S/c1-21-18-10-9-15(13-19(18)24(26)27)20(25)22-16-7-6-8-17(14-16)30(28,29)23-11-4-2-3-5-12-23/h6-10,13-14,21H,2-5,11-12H2,1H3,(H,22,25)