2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C21H25FN4O6S MolecularWeight: 480.509803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN4O6S/c1-15(21(27)23-19-14-17(26(28)29)6-9-20(19)32-2)24-10-3-11-25(13-12-24)33(30,31)18-7-4-16(22)5-8-18/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,27)