2-[4-[4-(tert-butylsulfamoyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[4-(tert-butylsulfamoyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[4-(tert-butylsulfamoyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[4-(tert-butylsulfamoyl)-2-nitrophenyl]-1,4-diazepan-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[4-(tert-butylsulfamoyl)-2-nitrophenyl]-1,4-diazepan-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[4-(tert-butylsulfamoyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]-N-isopropyl-acetamide Formula: C20H33N5O5S MolecularWeight: 455.57152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)CN1CCCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H33N5O5S/c1-15(2)21-19(26)14-23-9-6-10-24(12-11-23)17-8-7-16(13-18(17)25(27)28)31(29,30)22-20(3,4)5/h7-8,13,15,22H,6,9-12,14H2,1-5H3,(H,21,26)