1-(butylsulfonylamino)-2-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)cyclopropane-1-carboxylic acid

Systemtic Name: 1-(butylsulfonylamino)-2-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)cyclopropane-1-carboxylic acid Openeye Name: 1-(butylsulfonylamino)-2-phenyl-2-[4-(4-pyridyl)piperazin-1-yl]cyclopropanecarboxylic acid CAS Name: 1-(butylsulfonylamino)-2-phenyl-2-(4-pyridin-4-yl-1-piperazinyl)-1-cyclopropanecarboxylic acid IUPAC Name: 1-(butylsulfonylamino)-2-phenyl-2-(4-pyridin-4-ylpiperazin-1-yl)cyclopropane-1-carboxylic acid Traditional Name: 1-(butylsulfonylamino)-2-phenyl-2-[4-(4-pyridyl)piperazino]cyclopropanecarboxylic acid Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1(CC1(C2=CC=CC=C2)N3CCN(CC3)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC1(CC1(C2=CC=CC=C2)N3CCN(CC3)C4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C23H30N4O4S/c1-2-3-17-32(30,31)25-22(21(28)29)18-23(22,19-7-5-4-6-8-19)27-15-13-26(14-16-27)20-9-11-24-12-10-20/h4-12,25H,2-3,13-18H2,1H3,(H,28,29)