octyl 6-[3-tert-butyl-5-[(4-methylphenyl)sulfonylamino]pyrazol-1-yl]pyridine-3-carboxylate

Systemtic Name: octyl 6-[3-tert-butyl-5-[(4-methylphenyl)sulfonylamino]pyrazol-1-yl]pyridine-3-carboxylate Openeye Name: octyl 6-[3-tert-butyl-5-(p-tolylsulfonylamino)pyrazol-1-yl]pyridine-3-carboxylate CAS Name: 6-[3-tert-butyl-5-[(4-methylphenyl)sulfonylamino]-1-pyrazolyl]-3-pyridinecarboxylic acid octyl ester IUPAC Name: octyl 6-[3-tert-butyl-5-[(4-methylphenyl)sulfonylamino]pyrazol-1-yl]pyridine-3-carboxylate Traditional Name: 6-[3-tert-butyl-5-(tosylamino)pyrazol-1-yl]nicotinic acid octyl ester Formula: C28H38N4O4S MolecularWeight: 526.69072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CN=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=CN=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C28H38N4O4S/c1-6-7-8-9-10-11-18-36-27(33)22-14-17-25(29-20-22)32-26(19-24(30-32)28(3,4)5)31-37(34,35)23-15-12-21(2)13-16-23/h12-17,19-20,31H,6-11,18H2,1-5H3