butyl 4-[[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-yl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-carbonyl]amino]benzoate CAS Name: 4-[[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-furanyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[5-(4-methylpiperazin-1-yl)sulfonylfuran-2-carbonyl]amino]benzoate Traditional Name: 4-[[5-(4-methylpiperazino)sulfonyl-2-furoyl]amino]benzoic acid butyl ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(O2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C21H27N3O6S/c1-3-4-15-29-21(26)16-5-7-17(8-6-16)22-20(25)18-9-10-19(30-18)31(27,28)24-13-11-23(2)12-14-24/h5-10H,3-4,11-15H2,1-2H3,(H,22,25)