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

Systemtic Name: 4-[[4-(ethoxymethyl)phenyl]methylamino]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[4-(ethoxymethyl)phenyl]methylamino]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[[4-(ethoxymethyl)phenyl]methylamino]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[4-(ethoxymethyl)phenyl]methylamino]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[4-(ethoxymethyl)benzyl]amino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)COCC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)COCC)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O5S/c1-4-22(5-2)29(26,27)18-11-12-19(20(13-18)23(24)25)21-14-16-7-9-17(10-8-16)15-28-6-3/h7-13,21H,4-6,14-15H2,1-3H3