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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(dimethylamino)-3-nitro-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(dimethylamino)-3-nitro-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-(dimethylamino)-3-nitrobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(dimethylamino)-3-nitrobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-(dimethylamino)-3-nitro-benzamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S/c1-23(2)19-11-10-16(14-20(19)25(27)28)21(26)22-17-8-7-9-18(15-17)31(29,30)24-12-5-3-4-6-13-24/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,22,26)