N-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-nitro-phenyl]methylideneamino]-4-methyl-benzenesulfonamide

Systemtic Name: N-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-nitro-phenyl]methylideneamino]-4-methyl-benzenesulfonamide Openeye Name: N-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-nitro-phenyl]methyleneamino]-4-methyl-benzenesulfonamide CAS Name: N-[[2-[2-(hydroxymethyl)-1-pyrrolidinyl]-5-nitrophenyl]methylideneamino]-4-methylbenzenesulfonamide IUPAC Name: N-[[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-nitrophenyl]methylideneamino]-4-methylbenzenesulfonamide Traditional Name: 4-methyl-N-[[2-(2-methylolpyrrolidino)-5-nitro-benzylidene]amino]benzenesulfonamide Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3CO

InChI

InChI=1S/C19H22N4O5S/c1-14-4-7-18(8-5-14)29(27,28)21-20-12-15-11-16(23(25)26)6-9-19(15)22-10-2-3-17(22)13-24/h4-9,11-12,17,21,24H,2-3,10,13H2,1H3