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

Systemtic Name: N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[3-[4-(4-chlorophenyl)-1-piperazinyl]propyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[3-[4-(4-chlorophenyl)piperazino]propyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C20H25ClN4O4S MolecularWeight: 452.9549

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O4S/c1-16-3-6-19(25(26)27)15-20(16)30(28,29)22-9-2-10-23-11-13-24(14-12-23)18-7-4-17(21)5-8-18/h3-8,15,22H,2,9-14H2,1H3