4-methyl-3-nitro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide

Systemtic Name: 4-methyl-3-nitro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide Openeye Name: N-[3-(isopropylamino)propyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: 4-methyl-3-nitro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide IUPAC Name: 4-methyl-3-nitro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide Traditional Name: N-[3-(isopropylamino)propyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C13H21N3O4S MolecularWeight: 315.38854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCCNC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCCNC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H21N3O4S/c1-10(2)14-7-4-8-15-21(19,20)12-6-5-11(3)13(9-12)16(17)18/h5-6,9-10,14-15H,4,7-8H2,1-3H3