butyl 1-[11-(1-butoxycarbonylcyclopentyl)-6-isocyano-6-(4-methylphenyl)sulfonyl-undecyl]cyclopentane-1-carboxylate

Systemtic Name: butyl 1-[11-(1-butoxycarbonylcyclopentyl)-6-isocyano-6-(4-methylphenyl)sulfonyl-undecyl]cyclopentane-1-carboxylate Openeye Name: butyl 1-[11-(1-butoxycarbonylcyclopentyl)-6-isocyano-6-(p-tolylsulfonyl)undecyl]cyclopentanecarboxylate CAS Name: 1-[11-[1-[butoxy(oxo)methyl]cyclopentyl]-6-isocyano-6-(4-methylphenyl)sulfonylundecyl]-1-cyclopentanecarboxylic acid butyl ester IUPAC Name: butyl 1-[11-(1-butoxycarbonylcyclopentyl)-6-isocyano-6-(4-methylphenyl)sulfonylundecyl]cyclopentane-1-carboxylate Traditional Name: 1-[11-(1-butoxycarbonylcyclopentyl)-6-isocyano-6-tosyl-undecyl]cyclopentanecarboxylic acid butyl ester Formula: C39H61NO6S MolecularWeight: 671.96974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1(CCCC1)CCCCCC(CCCCCC2(CCCC2)C(=O)OCCCC)([N+]#[C-])S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC(=O)C1(CCCC1)CCCCCC(CCCCCC2(CCCC2)C(=O)OCCCC)([N+]#[C-])S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C39H61NO6S/c1-5-7-31-45-35(41)37(25-15-16-26-37)23-11-9-13-29-39(40-4,47(43,44)34-21-19-33(3)20-22-34)30-14-10-12-24-38(27-17-18-28-38)36(42)46-32-8-6-2/h19-22H,5-18,23-32H2,1-3H3