[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxidanylidene-butan-2-yl] 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid [1-[(5-methyl-3-isoxazolyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid 1-[(5-methylisoxazol-3-yl)carbamoyl]propyl ester Formula: C21H26ClN3O6S MolecularWeight: 483.96564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC(C3)C

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC(C3)C

InChI

InChI=1S/C21H26ClN3O6S/c1-4-17(20(26)23-19-10-14(3)31-24-19)30-21(27)15-7-8-16(22)18(11-15)32(28,29)25-9-5-6-13(2)12-25/h7-8,10-11,13,17H,4-6,9,12H2,1-3H3,(H,23,24,26)