4-[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[(4-ethoxy-3-methoxy-phenyl)methyl-methyl-amino]-3-nitro-benzenesulfonamide CAS Name: 4-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-3-nitrobenzenesulfonamide Traditional Name: 4-[(4-ethoxy-3-methoxy-benzyl)-methyl-amino]-3-nitro-benzenesulfonamide Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN(C)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN(C)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])OC

InChI

InChI=1S/C17H21N3O6S/c1-4-26-16-8-5-12(9-17(16)25-3)11-19(2)14-7-6-13(27(18,23)24)10-15(14)20(21)22/h5-10H,4,11H2,1-3H3,(H2,18,23,24)