3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-4-methoxy-benzenesulfonamide

Systemtic Name: 3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-4-methoxy-benzenesulfonamide Openeye Name: 3-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]-4-methoxy-benzenesulfonamide CAS Name: 3-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-oxomethyl]-4-methoxybenzenesulfonamide IUPAC Name: 3-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbonyl]-4-methoxybenzenesulfonamide Traditional Name: 3-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]-4-methoxy-benzenesulfonamide Formula: C18H19ClN4O6S MolecularWeight: 454.88466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN4O6S/c1-29-17-5-3-13(30(20,27)28)11-14(17)18(24)22-8-6-21(7-9-22)15-4-2-12(19)10-16(15)23(25)26/h2-5,10-11H,6-9H2,1H3,(H2,20,27,28)