2-pyrrolidin-1-ylethyl N-[1,3-bis[(E)-octadec-9-enoxy]propan-2-yl]sulfamate

Systemtic Name: 2-pyrrolidin-1-ylethyl N-[1,3-bis[(E)-octadec-9-enoxy]propan-2-yl]sulfamate Openeye Name: 2-pyrrolidin-1-ylethyl N-[2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl]sulfamate CAS Name: N-[1,3-bis[(E)-octadec-9-enoxy]propan-2-yl]sulfamic acid 2-(1-pyrrolidinyl)ethyl ester IUPAC Name: 2-pyrrolidin-1-ylethyl N-[1,3-bis[(E)-octadec-9-enoxy]propan-2-yl]sulfamate Traditional Name: N-[2-[(E)-octadec-9-enoxy]-1-[[(E)-octadec-9-enoxy]methyl]ethyl]sulfamic acid 2-pyrrolidinoethyl ester Formula: C45H88N2O5S MolecularWeight: 769.25562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(COCCCCCCCCC=CCCCCCCCC)NS(=O)(=O)OCCN1CCCC1

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOCC(NS(=O)(=O)OCCN1CCCC1)COCCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C45H88N2O5S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-40-50-43-45(46-53(48,49)52-42-39-47-37-33-34-38-47)44-51-41-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,45-46H,3-16,21-44H2,1-2H3/b19-17+,20-18+