[1-[[heptadecyl(oxan-3-yloxycarbonyl)amino]methoxy]-8-(4-methylphenyl)sulfonyloxy-octan-2-yl] ethanoate

Systemtic Name: [1-[[heptadecyl(oxan-3-yloxycarbonyl)amino]methoxy]-8-(4-methylphenyl)sulfonyloxy-octan-2-yl] ethanoate Openeye Name: [1-[[heptadecyl(tetrahydropyran-3-yloxycarbonyl)amino]methoxymethyl]-7-(p-tolylsulfonyloxy)heptyl] acetate CAS Name: acetic acid [1-[[heptadecyl-[3-oxanyloxy(oxo)methyl]amino]methoxy]-8-(4-methylphenyl)sulfonyloxyoctan-2-yl] ester IUPAC Name: [1-[[heptadecyl(oxan-3-yloxycarbonyl)amino]methoxy]-8-(4-methylphenyl)sulfonyloxyoctan-2-yl] acetate Traditional Name: acetic acid [1-[[heptadecyl(tetrahydropyran-3-yloxycarbonyl)amino]methoxymethyl]-7-tosyloxy-heptyl] ester Formula: C41H71NO9S MolecularWeight: 754.06874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCN(COCC(CCCCCCOS(=O)(=O)C1=CC=C(C=C1)C)OC(=O)C)C(=O)OC2CCCOC2

Isomeric SMILES

CCCCCCCCCCCCCCCCCN(COCC(CCCCCCOS(=O)(=O)C1=CC=C(C=C1)C)OC(=O)C)C(=O)OC2CCCOC2

InChI

InChI=1S/C41H71NO9S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-30-42(41(44)51-39-25-23-31-47-33-39)35-48-34-38(50-37(3)43)24-20-17-19-22-32-49-52(45,46)40-28-26-36(2)27-29-40/h26-29,38-39H,4-25,30-35H2,1-3H3