butyl 1-[9-(1-butoxycarbonylcyclopentyl)-5-isocyano-5-(4-methylphenyl)sulfonyl-nonyl]cyclopentane-1-carboxylate

Systemtic Name: butyl 1-[9-(1-butoxycarbonylcyclopentyl)-5-isocyano-5-(4-methylphenyl)sulfonyl-nonyl]cyclopentane-1-carboxylate Openeye Name: butyl 1-[9-(1-butoxycarbonylcyclopentyl)-5-isocyano-5-(p-tolylsulfonyl)nonyl]cyclopentanecarboxylate CAS Name: 1-[9-[1-[butoxy(oxo)methyl]cyclopentyl]-5-isocyano-5-(4-methylphenyl)sulfonylnonyl]-1-cyclopentanecarboxylic acid butyl ester IUPAC Name: butyl 1-[9-(1-butoxycarbonylcyclopentyl)-5-isocyano-5-(4-methylphenyl)sulfonylnonyl]cyclopentane-1-carboxylate Traditional Name: 1-[9-(1-butoxycarbonylcyclopentyl)-5-isocyano-5-tosyl-nonyl]cyclopentanecarboxylic acid butyl ester Formula: C37H57NO6S MolecularWeight: 643.91658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1(CCCC1)CCCCC(CCCCC2(CCCC2)C(=O)OCCCC)([N+]#[C-])S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCOC(=O)C1(CCCC1)CCCCC(CCCCC2(CCCC2)C(=O)OCCCC)([N+]#[C-])S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C37H57NO6S/c1-5-7-29-43-33(39)35(21-9-10-22-35)25-13-15-27-37(38-4,45(41,42)32-19-17-31(3)18-20-32)28-16-14-26-36(23-11-12-24-36)34(40)44-30-8-6-2/h17-20H,5-16,21-30H2,1-3H3