3-azanyl-4-methyl-5-nitro-N-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]ethyl]benzenesulfonamide; (E)-ethene-1,2-diol

Systemtic Name: 3-azanyl-4-methyl-5-nitro-N-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]ethyl]benzenesulfonamide; (E)-ethene-1,2-diol Openeye Name: 3-amino-N-[2-[(2-hydroxy-3-phenoxy-propyl)amino]ethyl]-4-methyl-5-nitro-benzenesulfonamide; (E)-ethene-1,2-diol CAS Name: 3-amino-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-4-methyl-5-nitrobenzenesulfonamide; (E)-ethene-1,2-diol IUPAC Name: 3-amino-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-4-methyl-5-nitrobenzenesulfonamide; (E)-ethene-1,2-diol Traditional Name: 3-amino-N-[2-[(2-hydroxy-3-phenoxy-propyl)amino]ethyl]-4-methyl-5-nitro-benzenesulfonamide; (E)-ethene-1,2-diol Formula: C20H28N4O8S MolecularWeight: 484.52332

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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-].C(=CO)O

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O6S.C2H4O2/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;3-1-2-4/h2-6,9-10,14,20-21,23H,7-8,11-12,19H2,1H3;1-4H/b;2-1+