N-tert-butyl-2-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(2,3-dimethyl-5-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(2,3-dimethyl-5-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(2,3-dimethyl-5-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Formula: C19H30N4O5S MolecularWeight: 426.5303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCCN(CC2)CC(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N2CCCN(CC2)CC(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O5S/c1-14-11-16(23(25)26)12-17(15(14)2)29(27,28)22-8-6-7-21(9-10-22)13-18(24)20-19(3,4)5/h11-12H,6-10,13H2,1-5H3,(H,20,24)