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

Systemtic Name: 2-[4-[4-(methylsulfamoyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-[4-(methylsulfamoyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[4-(methylsulfamoyl)-2-nitrophenyl]-1,4-diazepan-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[4-(methylsulfamoyl)-2-nitrophenyl]-1,4-diazepan-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-[4-(methylsulfamoyl)-2-nitro-phenyl]-1,4-diazepan-1-yl]acetamide Formula: C17H27N5O5S MolecularWeight: 413.49178

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H27N5O5S/c1-13(2)19-17(23)12-20-7-4-8-21(10-9-20)15-6-5-14(28(26,27)18-3)11-16(15)22(24)25/h5-6,11,13,18H,4,7-10,12H2,1-3H3,(H,19,23)