N-[(E)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[(E)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[(E)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methyleneamino]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[(E)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[(E)-[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[(E)-[4-[2-hydroxyethyl(methyl)amino]benzylidene]amino]-4-methyl-3-nitro-benzenesulfonamide Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N/N=C/C2=CC=C(C=C2)N(C)CCO)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5S/c1-13-3-8-16(11-17(13)21(23)24)27(25,26)19-18-12-14-4-6-15(7-5-14)20(2)9-10-22/h3-8,11-12,19,22H,9-10H2,1-2H3/b18-12+