methyl 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methyl]furan-3-carboxylate

Systemtic Name: methyl 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-[(4-tetralin-6-ylsulfonylpiperazin-1-yl)methyl]furan-3-carboxylate CAS Name: 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-1-piperazinyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[(4-tetralin-6-ylsulfonylpiperazino)methyl]furan-3-carboxylic acid methyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

Isomeric SMILES

COC(=O)C1=C(OC=C1)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C21H26N2O5S/c1-27-21(24)19-8-13-28-20(19)15-22-9-11-23(12-10-22)29(25,26)18-7-6-16-4-2-3-5-17(16)14-18/h6-8,13-14H,2-5,9-12,15H2,1H3