ethyl 3-methyl-5-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]sulfonyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]sulfonyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-methyl-5-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]sulfonyl-benzofuran-2-carboxylate CAS Name: 3-methyl-5-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]sulfonyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]sulfonyl-1-benzofuran-2-carboxylate Traditional Name: 3-methyl-5-[4-(4-nitro-3-piperidino-phenyl)piperazino]sulfonyl-coumarilic acid ethyl ester Formula: C27H32N4O7S MolecularWeight: 556.63058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])N5CCCCC5)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC(=C(C=C4)[N+](=O)[O-])N5CCCCC5)C

InChI

InChI=1S/C27H32N4O7S/c1-3-37-27(32)26-19(2)22-18-21(8-10-25(22)38-26)39(35,36)30-15-13-28(14-16-30)20-7-9-23(31(33)34)24(17-20)29-11-5-4-6-12-29/h7-10,17-18H,3-6,11-16H2,1-2H3