N-[5-nitro-2-[2-(propan-2-ylamino)ethoxy]phenyl]methanesulfonamide

Systemtic Name: N-[5-nitro-2-[2-(propan-2-ylamino)ethoxy]phenyl]methanesulfonamide Openeye Name: N-[2-[2-(isopropylamino)ethoxy]-5-nitro-phenyl]methanesulfonamide CAS Name: N-[5-nitro-2-[2-(propan-2-ylamino)ethoxy]phenyl]methanesulfonamide IUPAC Name: N-[5-nitro-2-[2-(propan-2-ylamino)ethoxy]phenyl]methanesulfonamide Traditional Name: N-[2-[2-(isopropylamino)ethoxy]-5-nitro-phenyl]methanesulfonamide Formula: C12H19N3O5S MolecularWeight: 317.36136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCOC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C

Isomeric SMILES

CC(C)NCCOC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C

InChI

InChI=1S/C12H19N3O5S/c1-9(2)13-6-7-20-12-5-4-10(15(16)17)8-11(12)14-21(3,18)19/h4-5,8-9,13-14H,6-7H2,1-3H3