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

Systemtic Name: methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-[3-(diethylamino)propyl]amino]-3-methyl-butanoate Openeye Name: methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-[3-(diethylamino)propyl]amino]-3-methyl-butanoate CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-[3-(diethylamino)propyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-[3-(diethylamino)propyl]amino]-3-methylbutanoate Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-[3-(diethylamino)propyl]amino]-3-methyl-butyric acid methyl ester Formula: C23H36N2O5S MolecularWeight: 452.60734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N2O5S/c1-7-10-18-30-20-12-14-21(15-13-20)31(27,28)25(17-11-16-24(8-2)9-3)22(19(4)5)23(26)29-6/h12-15,19,22H,8-9,11,16-18H2,1-6H3