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

Systemtic Name: methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-[4-(methylamino)but-2-ynyl]amino]-3-methyl-butanoate Openeye Name: methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-[4-(methylamino)but-2-ynyl]amino]-3-methyl-butanoate CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-[4-(methylamino)but-2-ynyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-[4-(methylamino)but-2-ynyl]amino]-3-methylbutanoate Traditional Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-[4-(methylamino)but-2-ynyl]amino]-3-methyl-butyric acid methyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-6-7-16-28-18-10-12-19(13-11-18)29(25,26)23(15-9-8-14-22-4)20(17(2)3)21(24)27-5/h10-13,17,20,22H,14-16H2,1-5H3