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

Systemtic Name: N-tert-butyl-2-[4-(3-chloranyl-4-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-tert-butyl-2-[4-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(3-chloro-4-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Formula: C18H27ClN4O5S MolecularWeight: 446.94878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CCCN(CC2)CC(=O)NC(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N2CCCN(CC2)CC(=O)NC(C)(C)C)Cl

InChI

InChI=1S/C18H27ClN4O5S/c1-13-15(19)10-14(11-16(13)23(25)26)29(27,28)22-7-5-6-21(8-9-22)12-17(24)20-18(2,3)4/h10-11H,5-9,12H2,1-4H3,(H,20,24)