tert-butyl N-methyl-N-[3-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]propyl]carbamate

Systemtic Name: tert-butyl N-methyl-N-[3-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]propyl]carbamate Openeye Name: tert-butyl N-methyl-N-[3-(4-morpholinosulfonyl-2-nitro-anilino)propyl]carbamate CAS Name: N-methyl-N-[3-[4-(4-morpholinylsulfonyl)-2-nitroanilino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-methyl-N-[3-(4-morpholin-4-ylsulfonyl-2-nitroanilino)propyl]carbamate Traditional Name: N-methyl-N-[3-(4-morpholinosulfonyl-2-nitro-anilino)propyl]carbamic acid tert-butyl ester Formula: C19H30N4O7S MolecularWeight: 458.5291

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)CCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N(C)CCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O7S/c1-19(2,3)30-18(24)21(4)9-5-8-20-16-7-6-15(14-17(16)23(25)26)31(27,28)22-10-12-29-13-11-22/h6-7,14,20H,5,8-13H2,1-4H3