2-[(4-but-2-ynoxyphenyl)sulfonyl-[4-(methylamino)but-2-ynyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-[4-(methylamino)but-2-ynyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-[4-(methylamino)but-2-ynyl]amino]-3-methyl-butanoic acid CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-[4-(methylamino)but-2-ynyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-[4-(methylamino)but-2-ynyl]amino]-3-methylbutanoic acid Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-[4-(methylamino)but-2-ynyl]amino]-3-methyl-butyric acid Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(CC#CCNC)C(C(C)C)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)N(CC#CCNC)C(C(C)C)C(=O)O

InChI

InChI=1S/C20H26N2O5S/c1-5-6-15-27-17-9-11-18(12-10-17)28(25,26)22(14-8-7-13-21-4)19(16(2)3)20(23)24/h9-12,16,19,21H,13-15H2,1-4H3,(H,23,24)