4-(azepan-1-yl)-N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-nitro-benzamide Formula: C27H39N5O5S MolecularWeight: 545.69406

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N(CC)CC)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N(CC)CC)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C27H39N5O5S/c1-5-29(6-2)24-16-14-22(38(36,37)31(7-3)8-4)20-23(24)28-27(33)21-13-15-25(26(19-21)32(34)35)30-17-11-9-10-12-18-30/h13-16,19-20H,5-12,17-18H2,1-4H3,(H,28,33)