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2-[(4-but-2-ynoxyphenyl)sulfonyl-[3-(diethylamino)propyl]amino]-3-methyl-butanoic acid

2-[(4-but-2-ynoxyphenyl)sulfonyl-[3-(diethylamino)propyl]amino]-3-methyl-butanoic acid

Systemtic Name:2-[(4-but-2-ynoxyphenyl)sulfonyl-[3-(diethylamino)propyl]amino]-3-methyl-butanoic acid
Openeye Name:2-[(4-but-2-ynoxyphenyl)sulfonyl-[3-(diethylamino)propyl]amino]-3-methyl-butanoic acid
CAS Name:2-[(4-but-2-ynoxyphenyl)sulfonyl-[3-(diethylamino)propyl]amino]-3-methylbutanoic acid
IUPAC Name:2-[(4-but-2-ynoxyphenyl)sulfonyl-[3-(diethylamino)propyl]amino]-3-methylbutanoic acid
Traditional Name:2-[(4-but-2-ynoxyphenyl)sulfonyl-[3-(diethylamino)propyl]amino]-3-methyl-butyric acid
Formula: C22H34N2O5S
MolecularWeight: 438.58076
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN(C(C(C)C)C(=O)O)S(=O)(=O)C1=CC=C(C=C1)OCC#CC


Isomeric SMILES

CCN(CC)CCCN(C(C(C)C)C(=O)O)S(=O)(=O)C1=CC=C(C=C1)OCC#CC


InChI

InChI=1S/C22H34N2O5S/c1-6-9-17-29-19-11-13-20(14-12-19)30(27,28)24(21(18(4)5)22(25)26)16-10-15-23(7-2)8-3/h11-14,18,21H,7-8,10,15-17H2,1-5H3,(H,25,26)


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