4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methoxy-1-methyl-ethyl)-3-nitro-benzenesulfonamide CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-N-(1-methoxypropan-2-yl)-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1-methoxypropan-2-yl)-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]-N-(2-methoxy-1-methyl-ethyl)-3-nitro-benzenesulfonamide Formula: C22H30N4O5S MolecularWeight: 462.5624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC(C)COC)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)NC(C)COC)[N+](=O)[O-])C

InChI

InChI=1S/C22H30N4O5S/c1-16-6-5-7-20(18(16)3)24-10-12-25(13-11-24)21-9-8-19(14-22(21)26(27)28)32(29,30)23-17(2)15-31-4/h5-9,14,17,23H,10-13,15H2,1-4H3