thiophen-2-ylmethyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: thiophen-2-ylmethyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: 2-thienylmethyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid thiophen-2-ylmethyl ester IUPAC Name: thiophen-2-ylmethyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid 2-thenyl ester Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CS2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC=CS2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H21NO4S2/c1-14-7-8-15(18(20)23-13-16-6-5-11-24-16)12-17(14)25(21,22)19-9-3-2-4-10-19/h5-8,11-12H,2-4,9-10,13H2,1H3