[1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-1-methyl-2-oxo-ethyl] 4-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(2-methylpiperidino)sulfonylbenzoic acid [2-[(3-fluorobenzyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C24H29FN2O5S MolecularWeight: 476.560863

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C)C(=O)N(C)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C)C(=O)N(C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C24H29FN2O5S/c1-17-7-4-5-14-27(17)33(30,31)22-12-10-20(11-13-22)24(29)32-18(2)23(28)26(3)16-19-8-6-9-21(25)15-19/h6,8-13,15,17-18H,4-5,7,14,16H2,1-3H3