methyl 1-[4-[[4-(3-methylbutoxy)phenyl]carbonylamino]phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: methyl 1-[4-[[4-(3-methylbutoxy)phenyl]carbonylamino]phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: methyl 1-[4-[(4-isopentyloxybenzoyl)amino]phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[4-[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]phenyl]sulfonyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[[4-(3-methylbutoxy)benzoyl]amino]phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[4-[(4-isoamoxybenzoyl)amino]phenyl]sulfonylnipecotic acid methyl ester Formula: C25H32N2O6S MolecularWeight: 488.59638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)OC

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)OC

InChI

InChI=1S/C25H32N2O6S/c1-18(2)14-16-33-22-10-6-19(7-11-22)24(28)26-21-8-12-23(13-9-21)34(30,31)27-15-4-5-20(17-27)25(29)32-3/h6-13,18,20H,4-5,14-17H2,1-3H3,(H,26,28)