N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-4-ethoxy-5-methoxy-2-nitrobenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxy-5-methoxy-2-nitrobenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxy-5-methoxy-2-nitro-benzamide Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C22H27N3O7S/c1-3-32-21-15-19(25(27)28)18(14-20(21)31-2)22(26)23-16-8-10-17(11-9-16)33(29,30)24-12-6-4-5-7-13-24/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,23,26)