methyl 3-(butylsulfonylamino)-2-[3-[(4-pyridin-4-ylpiperidin-4-yl)methoxy]phenyl]propanoate

Systemtic Name: methyl 3-(butylsulfonylamino)-2-[3-[(4-pyridin-4-ylpiperidin-4-yl)methoxy]phenyl]propanoate Openeye Name: methyl 3-(butylsulfonylamino)-2-[3-[[4-(4-pyridyl)-4-piperidyl]methoxy]phenyl]propanoate CAS Name: 3-(butylsulfonylamino)-2-[3-[(4-pyridin-4-yl-4-piperidinyl)methoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-(butylsulfonylamino)-2-[3-[(4-pyridin-4-ylpiperidin-4-yl)methoxy]phenyl]propanoate Traditional Name: 3-(butylsulfonylamino)-2-[3-[[4-(4-pyridyl)-4-piperidyl]methoxy]phenyl]propionic acid methyl ester Formula: C25H35N3O5S MolecularWeight: 489.6275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NCC(C1=CC(=CC=C1)OCC2(CCNCC2)C3=CC=NC=C3)C(=O)OC

Isomeric SMILES

CCCCS(=O)(=O)NCC(C1=CC(=CC=C1)OCC2(CCNCC2)C3=CC=NC=C3)C(=O)OC

InChI

InChI=1S/C25H35N3O5S/c1-3-4-16-34(30,31)28-18-23(24(29)32-2)20-6-5-7-22(17-20)33-19-25(10-14-27-15-11-25)21-8-12-26-13-9-21/h5-9,12-13,17,23,27-28H,3-4,10-11,14-16,18-19H2,1-2H3