N,N-dimethyl-3-nitro-4-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-nitro-4-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-benzenesulfonamide Openeye Name: 4-[(4-benzyl-1-piperidyl)sulfonyl]-N,N-dimethyl-3-nitro-benzenesulfonamide CAS Name: N,N-dimethyl-3-nitro-4-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]benzenesulfonamide IUPAC Name: 4-(4-benzylpiperidin-1-yl)sulfonyl-N,N-dimethyl-3-nitrobenzenesulfonamide Traditional Name: 4-(4-benzylpiperidino)sulfonyl-N,N-dimethyl-3-nitro-benzenesulfonamide Formula: C20H25N3O6S2 MolecularWeight: 467.559

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O6S2/c1-21(2)30(26,27)18-8-9-20(19(15-18)23(24)25)31(28,29)22-12-10-17(11-13-22)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3