methyl 3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]sulfonyl-4-methyl-benzoate

Systemtic Name: methyl 3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]sulfonyl-4-methyl-benzoate Openeye Name: methyl 3-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]sulfonyl-4-methyl-benzoate CAS Name: 3-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]sulfonyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]sulfonyl-4-methylbenzoate Traditional Name: 3-[4-(coumaran-5-ylmethyl)piperazino]sulfonyl-4-methyl-benzoic acid methyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C22H26N2O5S/c1-16-3-5-19(22(25)28-2)14-21(16)30(26,27)24-10-8-23(9-11-24)15-17-4-6-20-18(13-17)7-12-29-20/h3-6,13-14H,7-12,15H2,1-2H3