N,N-diethyl-4-methoxy-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-methoxy-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]benzenesulfonamide Openeye Name: N,N-diethyl-4-methoxy-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]benzenesulfonamide CAS Name: N,N-diethyl-4-methoxy-3-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-methoxy-3-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]benzenesulfonamide Traditional Name: N,N-diethyl-4-methoxy-3-[4-(3-nitrophenyl)sulfonylpiperazino]benzenesulfonamide Formula: C21H28N4O7S2 MolecularWeight: 512.59962

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O7S2/c1-4-23(5-2)33(28,29)19-9-10-21(32-3)20(16-19)22-11-13-24(14-12-22)34(30,31)18-8-6-7-17(15-18)25(26)27/h6-10,15-16H,4-5,11-14H2,1-3H3