4-(dimethylamino)-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-(dimethylamino)-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]-3-nitro-benzenesulfonamide Openeye Name: 4-(dimethylamino)-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]-3-nitro-benzenesulfonamide CAS Name: 4-(dimethylamino)-N-[2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-(dimethylamino)-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-3-nitrobenzenesulfonamide Traditional Name: 4-(dimethylamino)-N-[2-[4-(3-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl]-3-nitro-benzenesulfonamide Formula: C20H24FN5O7S2 MolecularWeight: 529.562263

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)S(=O)(=O)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H24FN5O7S2/c1-23(2)18-7-6-16(13-19(18)26(28)29)34(30,31)22-14-20(27)24-8-10-25(11-9-24)35(32,33)17-5-3-4-15(21)12-17/h3-7,12-13,22H,8-11,14H2,1-2H3