N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyethylamino)-5-nitro-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyethylamino)-5-nitro-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyethylamino)-5-nitro-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-(2-methoxyethylamino)-5-nitrobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyethylamino)-5-nitrobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyethylamino)-5-nitro-benzamide Formula: C22H28N4O6S MolecularWeight: 476.54592

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N4O6S/c1-32-14-11-23-21-10-9-18(26(28)29)16-20(21)22(27)24-17-7-6-8-19(15-17)33(30,31)25-12-4-2-3-5-13-25/h6-10,15-16,23H,2-5,11-14H2,1H3,(H,24,27)