N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-4-nitro-benzenesulfonamide

Systemtic Name: N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-4-nitro-benzenesulfonamide Openeye Name: N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-4-nitro-benzenesulfonamide CAS Name: N-[2-[[4-(3-chlorophenyl)-1-piperazinyl]sulfonyl]ethyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[2-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylethyl]-4-nitrobenzenesulfonamide Traditional Name: N-[2-[4-(3-chlorophenyl)piperazino]sulfonylethyl]-4-nitro-benzenesulfonamide Formula: C18H21ClN4O6S2 MolecularWeight: 488.96554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)S(=O)(=O)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)S(=O)(=O)CCNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21ClN4O6S2/c19-15-2-1-3-17(14-15)21-9-11-22(12-10-21)30(26,27)13-8-20-31(28,29)18-6-4-16(5-7-18)23(24)25/h1-7,14,20H,8-13H2