5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)-2-nitro-aniline

Systemtic Name: 5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)-2-nitro-aniline Openeye Name: 5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-furylmethyl)-2-nitro-aniline CAS Name: 5-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-N-(2-furanylmethyl)-2-nitroaniline IUPAC Name: 5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)-2-nitroaniline Traditional Name: [5-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-2-nitro-phenyl]-(2-furfuryl)amine Formula: C23H26N4O7S MolecularWeight: 502.54014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4)OC

InChI

InChI=1S/C23H26N4O7S/c1-32-22-8-6-19(15-23(22)33-2)35(30,31)26-11-9-25(10-12-26)17-5-7-21(27(28)29)20(14-17)24-16-18-4-3-13-34-18/h3-8,13-15,24H,9-12,16H2,1-2H3