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

Systemtic Name: methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-(3-chloranylpropyl)amino]-3-methyl-butanoate Openeye Name: methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-(3-chloropropyl)amino]-3-methyl-butanoate CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(3-chloropropyl)amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-(3-chloropropyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(3-chloropropyl)amino]-3-methyl-butyric acid methyl ester Formula: C19H26ClNO5S MolecularWeight: 415.93144

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(CCCCl)C(C(C)C)C(=O)OC

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(CCCCl)C(C(C)C)C(=O)OC

InChI

InChI=1S/C19H26ClNO5S/c1-5-6-14-26-16-8-10-17(11-9-16)27(23,24)21(13-7-12-20)18(15(2)3)19(22)25-4/h8-11,15,18H,7,12-14H2,1-4H3