methyl 2-[[1-(4-but-2-ynoxyphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)but-2-ynyl]amino]-3-methyl-butanoate

Systemtic Name: methyl 2-[[1-(4-but-2-ynoxyphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)but-2-ynyl]amino]-3-methyl-butanoate Openeye Name: methyl 2-[[1-(4-but-2-ynoxyphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)but-2-ynyl]amino]-3-methyl-butanoate CAS Name: 2-[[1-(4-but-2-ynoxyphenyl)sulfonyl-4-(4-methyl-1-piperazinyl)but-2-ynyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[1-(4-but-2-ynoxyphenyl)sulfonyl-4-(4-methylpiperazin-1-yl)but-2-ynyl]amino]-3-methylbutanoate Traditional Name: 2-[[1-(4-but-2-ynoxyphenyl)sulfonyl-4-(4-methylpiperazino)but-2-ynyl]amino]-3-methyl-butyric acid methyl ester Formula: C25H35N3O5S MolecularWeight: 489.6275

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C#CCN2CCN(CC2)C)NC(C(C)C)C(=O)OC

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C#CCN2CCN(CC2)C)NC(C(C)C)C(=O)OC

InChI

InChI=1S/C25H35N3O5S/c1-6-7-19-33-21-10-12-22(13-11-21)34(30,31)23(26-24(20(2)3)25(29)32-5)9-8-14-28-17-15-27(4)16-18-28/h10-13,20,23-24,26H,14-19H2,1-5H3