methyl 3-[(4-methylphenyl)sulfonylamino]-3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]phenyl]propanoate

Systemtic Name: methyl 3-[(4-methylphenyl)sulfonylamino]-3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]phenyl]propanoate Openeye Name: methyl 3-(p-tolylsulfonylamino)-3-[4-[[1-(4-pyridyl)-4-piperidyl]methoxy]phenyl]propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]-3-[4-[(1-pyridin-4-yl-4-piperidinyl)methoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[(4-methylphenyl)sulfonylamino]-3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]phenyl]propanoate Traditional Name: 3-[4-[[1-(4-pyridyl)-4-piperidyl]methoxy]phenyl]-3-(tosylamino)propionic acid methyl ester Formula: C28H33N3O5S MolecularWeight: 523.64372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)OC)C2=CC=C(C=C2)OCC3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)OC)C2=CC=C(C=C2)OCC3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C28H33N3O5S/c1-21-3-9-26(10-4-21)37(33,34)30-27(19-28(32)35-2)23-5-7-25(8-6-23)36-20-22-13-17-31(18-14-22)24-11-15-29-16-12-24/h3-12,15-16,22,27,30H,13-14,17-20H2,1-2H3