N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[3-[4-(2-methoxyphenyl)piperazino]propyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCN2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCCN2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C21H28N4O5S/c1-17-8-9-18(25(26)27)16-21(17)31(28,29)22-10-5-11-23-12-14-24(15-13-23)19-6-3-4-7-20(19)30-2/h3-4,6-9,16,22H,5,10-15H2,1-2H3