4-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]-N,N-dimethyl-benzamide

Systemtic Name: 4-[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]amino]-N,N-dimethyl-benzamide Openeye Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]-N,N-dimethyl-benzamide CAS Name: 4-[4-(1-azepanylsulfonyl)-2-nitroanilino]-N,N-dimethylbenzamide IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitroanilino]-N,N-dimethylbenzamide Traditional Name: 4-[4-(azepan-1-ylsulfonyl)-2-nitro-anilino]-N,N-dimethyl-benzamide Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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