(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 4-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(2-methylpiperidino)sulfonylbenzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NOC(=C3)C4=CC=CS4

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C21H22N2O5S2/c1-15-5-2-3-11-23(15)30(25,26)18-9-7-16(8-10-18)21(24)27-14-17-13-19(28-22-17)20-6-4-12-29-20/h4,6-10,12-13,15H,2-3,5,11,14H2,1H3