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

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(3-chloranylpropyl)amino]-3-methyl-butanoate Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(3-chloropropyl)amino]-3-methyl-butanoate CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(3-chloropropyl)amino]-3-methylbutanoate IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(3-chloropropyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-(3-chloropropyl)amino]-3-methyl-butyrate Formula: C18H23ClNO5S- MolecularWeight: 400.89692

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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)[O-]

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(CCCCl)C(C(C)C)C(=O)[O-]

InChI

InChI=1S/C18H24ClNO5S/c1-4-5-13-25-15-7-9-16(10-8-15)26(23,24)20(12-6-11-19)17(14(2)3)18(21)22/h7-10,14,17H,6,11-13H2,1-3H3,(H,21,22)/p-1