3-azanyl-4-methyl-5-nitro-N-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]ethyl]benzenesulfonamide

Systemtic Name: 3-azanyl-4-methyl-5-nitro-N-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]ethyl]benzenesulfonamide Openeye Name: 3-amino-N-[2-[(2-hydroxy-3-phenoxy-propyl)amino]ethyl]-4-methyl-5-nitro-benzenesulfonamide CAS Name: 3-amino-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-4-methyl-5-nitrobenzenesulfonamide IUPAC Name: 3-amino-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-4-methyl-5-nitrobenzenesulfonamide Traditional Name: 3-amino-N-[2-[(2-hydroxy-3-phenoxy-propyl)amino]ethyl]-4-methyl-5-nitro-benzenesulfonamide Formula: C18H24N4O6S MolecularWeight: 424.47136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1N)S(=O)(=O)NCCNCC(COC2=CC=CC=C2)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1N)S(=O)(=O)NCCNCC(COC2=CC=CC=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O6S/c1-13-17(19)9-16(10-18(13)22(24)25)29(26,27)21-8-7-20-11-14(23)12-28-15-5-3-2-4-6-15/h2-6,9-10,14,20-21,23H,7-8,11-12,19H2,1H3