N-tert-butyl-2-[4-(2-methoxy-5-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(2-methoxy-5-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(2-methoxy-5-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(2-methoxy-5-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(2-methoxy-5-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(2-methoxy-5-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Formula: C18H28N4O6S MolecularWeight: 428.50312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O6S/c1-18(2,3)19-17(23)13-20-8-5-9-21(11-10-20)29(26,27)16-12-14(22(24)25)6-7-15(16)28-4/h6-7,12H,5,8-11,13H2,1-4H3,(H,19,23)