N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-N-methyl-3-[4-(5-nitrofuran-2-yl)carbonylpiperazin-1-yl]benzenesulfonamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-N-methyl-3-[4-(5-nitrofuran-2-yl)carbonylpiperazin-1-yl]benzenesulfonamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-N-methyl-3-[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]benzenesulfonamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-N-methyl-3-[4-[(5-nitro-2-furanyl)-oxomethyl]-1-piperazinyl]benzenesulfonamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-N-methyl-3-[4-(5-nitrofuran-2-carbonyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N-homoveratryl-4-methoxy-N-methyl-3-[4-(5-nitro-2-furoyl)piperazino]benzenesulfonamide Formula: C27H32N4O9S MolecularWeight: 588.62938

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC(=C(C=C2)OC)N3CCN(CC3)C(=O)C4=CC=C(O4)[N+](=O)[O-]

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)S(=O)(=O)C2=CC(=C(C=C2)OC)N3CCN(CC3)C(=O)C4=CC=C(O4)[N+](=O)[O-]

InChI

InChI=1S/C27H32N4O9S/c1-28(12-11-19-5-7-23(38-3)25(17-19)39-4)41(35,36)20-6-8-22(37-2)21(18-20)29-13-15-30(16-14-29)27(32)24-9-10-26(40-24)31(33)34/h5-10,17-18H,11-16H2,1-4H3