methyl 3-(butylsulfonylamino)-3-[2-methoxy-4-(1-pyridin-4-ylpiperidin-4-yl)phenyl]propanoate

Systemtic Name: methyl 3-(butylsulfonylamino)-3-[2-methoxy-4-(1-pyridin-4-ylpiperidin-4-yl)phenyl]propanoate Openeye Name: methyl 3-(butylsulfonylamino)-3-[2-methoxy-4-[1-(4-pyridyl)-4-piperidyl]phenyl]propanoate CAS Name: 3-(butylsulfonylamino)-3-[2-methoxy-4-(1-pyridin-4-yl-4-piperidinyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-(butylsulfonylamino)-3-[2-methoxy-4-(1-pyridin-4-ylpiperidin-4-yl)phenyl]propanoate Traditional Name: 3-(butylsulfonylamino)-3-[2-methoxy-4-[1-(4-pyridyl)-4-piperidyl]phenyl]propionic acid methyl ester Formula: C25H35N3O5S MolecularWeight: 489.6275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC(=O)OC)C1=C(C=C(C=C1)C2CCN(CC2)C3=CC=NC=C3)OC

Isomeric SMILES

CCCCS(=O)(=O)NC(CC(=O)OC)C1=C(C=C(C=C1)C2CCN(CC2)C3=CC=NC=C3)OC

InChI

InChI=1S/C25H35N3O5S/c1-4-5-16-34(30,31)27-23(18-25(29)33-3)22-7-6-20(17-24(22)32-2)19-10-14-28(15-11-19)21-8-12-26-13-9-21/h6-9,12-13,17,19,23,27H,4-5,10-11,14-16,18H2,1-3H3