N-[3-(2-methylpropoxy)propyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline

Systemtic Name: N-[3-(2-methylpropoxy)propyl]-4-morpholin-4-ylsulfonyl-2-nitro-aniline Openeye Name: N-(3-isobutoxypropyl)-4-morpholinosulfonyl-2-nitro-aniline CAS Name: N-[3-(2-methylpropoxy)propyl]-4-(4-morpholinylsulfonyl)-2-nitroaniline IUPAC Name: N-[3-(2-methylpropoxy)propyl]-4-morpholin-4-ylsulfonyl-2-nitroaniline Traditional Name: 3-isobutoxypropyl-(4-morpholinosulfonyl-2-nitro-phenyl)amine Formula: C17H27N3O6S MolecularWeight: 401.47778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)COCCCNC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H27N3O6S/c1-14(2)13-26-9-3-6-18-16-5-4-15(12-17(16)20(21)22)27(23,24)19-7-10-25-11-8-19/h4-5,12,14,18H,3,6-11,13H2,1-2H3