[2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[(diphenylmethyl)amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(benzhydrylamino)-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-[(diphenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(benzhydrylamino)-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-(benzhydrylamino)-2-keto-ethyl] ester Formula: C27H27FN2O5S MolecularWeight: 510.577083

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC(C3=CC=CC=C3)C4=CC=CC=C4)F

InChI

InChI=1S/C27H27FN2O5S/c28-23-15-14-22(18-24(23)36(33,34)30-16-8-3-9-17-30)27(32)35-19-25(31)29-26(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-15,18,26H,3,8-9,16-17,19H2,(H,29,31)