methyl 4-[2-[(2-methoxy-2-oxidanylidene-ethyl)amino]-4-piperidin-1-ylsulfonyl-phenoxy]benzoate

Systemtic Name: methyl 4-[2-[(2-methoxy-2-oxidanylidene-ethyl)amino]-4-piperidin-1-ylsulfonyl-phenoxy]benzoate Openeye Name: methyl 4-[2-[(2-methoxy-2-oxo-ethyl)amino]-4-(1-piperidylsulfonyl)phenoxy]benzoate CAS Name: 4-[2-[(2-methoxy-2-oxoethyl)amino]-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[(2-methoxy-2-oxoethyl)amino]-4-piperidin-1-ylsulfonylphenoxy]benzoate Traditional Name: 4-[2-[(2-keto-2-methoxy-ethyl)amino]-4-piperidinosulfonyl-phenoxy]benzoic acid methyl ester Formula: C22H26N2O7S MolecularWeight: 462.51604

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC(=O)CNC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H26N2O7S/c1-29-21(25)15-23-19-14-18(32(27,28)24-12-4-3-5-13-24)10-11-20(19)31-17-8-6-16(7-9-17)22(26)30-2/h6-11,14,23H,3-5,12-13,15H2,1-2H3