4-[[[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-methyl-amino]methyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)N)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)N)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5S/c1-23(15-16-6-8-17(9-7-16)21(22)26)19-11-10-18(14-20(19)25(27)28)31(29,30)24-12-4-2-3-5-13-24/h6-11,14H,2-5,12-13,15H2,1H3,(H2,22,26)