methyl 4-(4-methylphenyl)-3-piperidin-1-ylsulfonyl-thiophene-2-carboxylate

Systemtic Name: methyl 4-(4-methylphenyl)-3-piperidin-1-ylsulfonyl-thiophene-2-carboxylate Openeye Name: methyl 3-(1-piperidylsulfonyl)-4-(p-tolyl)thiophene-2-carboxylate CAS Name: 4-(4-methylphenyl)-3-(1-piperidinylsulfonyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-3-piperidin-1-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-piperidinosulfonyl-4-(p-tolyl)thiophene-2-carboxylic acid methyl ester Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2S(=O)(=O)N3CCCCC3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2S(=O)(=O)N3CCCCC3)C(=O)OC

InChI

InChI=1S/C18H21NO4S2/c1-13-6-8-14(9-7-13)15-12-24-16(18(20)23-2)17(15)25(21,22)19-10-4-3-5-11-19/h6-9,12H,3-5,10-11H2,1-2H3