methyl 4-[[4-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]piperidin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]piperidin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[2-methoxyethyl(8-quinolylsulfonyl)amino]-1-piperidyl]methyl]benzoate CAS Name: 4-[[4-[2-methoxyethyl(8-quinolinylsulfonyl)amino]-1-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[2-methoxyethyl(quinolin-8-ylsulfonyl)amino]piperidin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[2-methoxyethyl(8-quinolylsulfonyl)amino]piperidino]methyl]benzoic acid methyl ester Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(C1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

COCCN(C1CCN(CC1)CC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C26H31N3O5S/c1-33-18-17-29(35(31,32)24-7-3-5-21-6-4-14-27-25(21)24)23-12-15-28(16-13-23)19-20-8-10-22(11-9-20)26(30)34-2/h3-11,14,23H,12-13,15-19H2,1-2H3