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

Systemtic Name: [(4-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 4-(3-pyridin-3-ylpropyl)octanoate Openeye Name: [tert-butoxycarbonyl-(4-chlorophenyl)sulfonyl-amino] 4-[3-(3-pyridyl)propyl]octanoate CAS Name: 4-[3-(3-pyridinyl)propyl]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-(3-pyridin-3-ylpropyl)octanoate Traditional Name: 4-[3-(3-pyridyl)propyl]caprylic acid [tert-butoxycarbonyl-(4-chlorophenyl)sulfonyl-amino] ester Formula: C27H37ClN2O6S MolecularWeight: 553.11048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC1=CN=CC=C1)CCC(=O)ON(C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCC(CCCC1=CN=CC=C1)CCC(=O)ON(C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C27H37ClN2O6S/c1-5-6-9-21(10-7-11-22-12-8-19-29-20-22)13-18-25(31)36-30(26(32)35-27(2,3)4)37(33,34)24-16-14-23(28)15-17-24/h8,12,14-17,19-21H,5-7,9-11,13,18H2,1-4H3