methyl 3-[(3S)-3-(3-chlorophenyl)carbonylpiperidin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[(3S)-3-(3-chlorophenyl)carbonylpiperidin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[[(3S)-3-(3-chlorobenzoyl)-1-piperidyl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[(3S)-3-[(3-chlorophenyl)-oxomethyl]-1-piperidinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(3S)-3-(3-chlorobenzoyl)piperidin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[(3S)-3-(3-chlorobenzoyl)piperidino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C18H18ClNO5S2 MolecularWeight: 427.92222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCC(C2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H18ClNO5S2/c1-25-18(22)17-15(7-9-26-17)27(23,24)20-8-3-5-13(11-20)16(21)12-4-2-6-14(19)10-12/h2,4,6-7,9-10,13H,3,5,8,11H2,1H3/t13-/m0/s1