N,N-diethyl-4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-(2-methoxy-5-methyl-benzyl)piperazino]-3-nitro-benzenesulfonamide Formula: C23H32N4O5S MolecularWeight: 476.58898

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=C(C=CC(=C3)C)OC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=C(C=CC(=C3)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H32N4O5S/c1-5-26(6-2)33(30,31)20-8-9-21(22(16-20)27(28)29)25-13-11-24(12-14-25)17-19-15-18(3)7-10-23(19)32-4/h7-10,15-16H,5-6,11-14,17H2,1-4H3