N,N-diethyl-4-[(3-methoxy-4-propoxy-phenyl)methylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[(3-methoxy-4-propoxy-phenyl)methylamino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[(3-methoxy-4-propoxy-phenyl)methylamino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[(3-methoxy-4-propoxyphenyl)methylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[(3-methoxy-4-propoxyphenyl)methylamino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[(3-methoxy-4-propoxy-benzyl)amino]-3-nitro-benzenesulfonamide Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)[N+](=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)[N+](=O)[O-])OC

InChI

InChI=1S/C21H29N3O6S/c1-5-12-30-20-11-8-16(13-21(20)29-4)15-22-18-10-9-17(14-19(18)24(25)26)31(27,28)23(6-2)7-3/h8-11,13-14,22H,5-7,12,15H2,1-4H3