8-[(4-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-(3-pyridin-3-ylpropyl)octanoate

Systemtic Name: 8-[(4-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-(3-pyridin-3-ylpropyl)octanoate Openeye Name: 8-[tert-butoxycarbonyl-(4-chlorophenyl)sulfonyl-amino]-4-[3-(3-pyridyl)propyl]octanoate CAS Name: 8-[(4-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-[3-(3-pyridinyl)propyl]octanoate IUPAC Name: 8-[(4-chlorophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-(3-pyridin-3-ylpropyl)octanoate Traditional Name: 8-[tert-butoxycarbonyl-(4-chlorophenyl)sulfonyl-amino]-4-[3-(3-pyridyl)propyl]caprylate Formula: C27H36ClN2O6S- MolecularWeight: 552.10254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCCC(CCCC1=CN=CC=C1)CCC(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCCC(CCCC1=CN=CC=C1)CCC(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C27H37ClN2O6S/c1-27(2,3)36-26(33)30(37(34,35)24-15-13-23(28)14-16-24)19-5-4-8-21(12-17-25(31)32)9-6-10-22-11-7-18-29-20-22/h7,11,13-16,18,20-21H,4-6,8-10,12,17,19H2,1-3H3,(H,31,32)/p-1