N-[(2S)-3-[bis(prop-2-enyl)amino]-2-oxidanyl-propyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide

Systemtic Name: N-[(2S)-3-[bis(prop-2-enyl)amino]-2-oxidanyl-propyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide Openeye Name: N-[(2S)-3-(diallylamino)-2-hydroxy-propyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide CAS Name: N-[(2S)-3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide IUPAC Name: N-[(2S)-3-[bis(prop-2-enyl)amino]-2-hydroxypropyl]-N-(2-methoxy-5-nitrophenyl)benzenesulfonamide Traditional Name: N-[(2S)-3-(diallylamino)-2-hydroxy-propyl]-N-(2-methoxy-5-nitro-phenyl)benzenesulfonamide Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N(CC(CN(CC=C)CC=C)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N(C[C@H](CN(CC=C)CC=C)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H27N3O6S/c1-4-13-23(14-5-2)16-19(26)17-24(32(29,30)20-9-7-6-8-10-20)21-15-18(25(27)28)11-12-22(21)31-3/h4-12,15,19,26H,1-2,13-14,16-17H2,3H3/t19-/m0/s1