[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C)C(=O)NCC3=CC=CS3

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C21H26N2O5S2/c1-15-9-11-23(12-10-15)30(26,27)19-7-5-17(6-8-19)21(25)28-16(2)20(24)22-14-18-4-3-13-29-18/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,22,24)