[(4-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 4-(2-pyridin-3-yloxyethyl)octanoate

Systemtic Name: [(4-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 4-(2-pyridin-3-yloxyethyl)octanoate Openeye Name: [tert-butoxycarbonyl-(4-chlorophenyl)sulfonyl-amino] 4-[2-(3-pyridyloxy)ethyl]octanoate CAS Name: 4-[2-(3-pyridinyloxy)ethyl]octanoic acid [(4-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino] ester IUPAC Name: [(4-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 4-(2-pyridin-3-yloxyethyl)octanoate Traditional Name: 4-[2-(3-pyridyloxy)ethyl]caprylic acid [tert-butoxycarbonyl-(4-chlorophenyl)sulfonyl-amino] ester Formula: C26H35ClN2O7S MolecularWeight: 555.0833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC(=O)ON(C(=O)OC(C)(C)C)S(=O)(=O)C1=CC=C(C=C1)Cl)CCOC2=CN=CC=C2

Isomeric SMILES

CCCCC(CCC(=O)ON(C(=O)OC(C)(C)C)S(=O)(=O)C1=CC=C(C=C1)Cl)CCOC2=CN=CC=C2

InChI

InChI=1S/C26H35ClN2O7S/c1-5-6-8-20(16-18-34-22-9-7-17-28-19-22)10-15-24(30)36-29(25(31)35-26(2,3)4)37(32,33)23-13-11-21(27)12-14-23/h7,9,11-14,17,19-20H,5-6,8,10,15-16,18H2,1-4H3