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

Systemtic Name: 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)-2-nitro-aniline Openeye Name: 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(2-furylmethyl)-2-nitro-aniline CAS Name: 5-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-N-(2-furanylmethyl)-2-nitroaniline IUPAC Name: 5-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-(furan-2-ylmethyl)-2-nitroaniline Traditional Name: [5-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-nitro-phenyl]-(2-furfuryl)amine Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CO4)C

InChI

InChI=1S/C23H26N4O5S/c1-17-5-7-21(14-18(17)2)33(30,31)26-11-9-25(10-12-26)19-6-8-23(27(28)29)22(15-19)24-16-20-4-3-13-32-20/h3-8,13-15,24H,9-12,16H2,1-2H3