methyl 2-[4-but-2-ynoxypentylsulfonyl(3-chloranylpropyl)amino]-3-methyl-butanoate

Systemtic Name: methyl 2-[4-but-2-ynoxypentylsulfonyl(3-chloranylpropyl)amino]-3-methyl-butanoate Openeye Name: methyl 2-[4-but-2-ynoxypentylsulfonyl(3-chloropropyl)amino]-3-methyl-butanoate CAS Name: 2-[4-but-2-ynoxypentylsulfonyl(3-chloropropyl)amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[4-but-2-ynoxypentylsulfonyl(3-chloropropyl)amino]-3-methylbutanoate Traditional Name: 2-[4-but-2-ynoxypentylsulfonyl(3-chloropropyl)amino]-3-methyl-butyric acid methyl ester Formula: C18H32ClNO5S MolecularWeight: 409.96838

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC(C)CCCS(=O)(=O)N(CCCCl)C(C(C)C)C(=O)OC

Isomeric SMILES

CC#CCOC(C)CCCS(=O)(=O)N(CCCCl)C(C(C)C)C(=O)OC

InChI

InChI=1S/C18H32ClNO5S/c1-6-7-13-25-16(4)10-8-14-26(22,23)20(12-9-11-19)17(15(2)3)18(21)24-5/h15-17H,8-14H2,1-5H3