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

Systemtic Name: methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-[4-(4-methylpiperazin-1-yl)but-2-ynyl]amino]-3-methyl-butanoate Openeye Name: methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-[4-(4-methylpiperazin-1-yl)but-2-ynyl]amino]-3-methyl-butanoate CAS Name: 2-[(4-but-2-ynoxyphenyl)sulfonyl-[4-(4-methyl-1-piperazinyl)but-2-ynyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(4-but-2-ynoxyphenyl)sulfonyl-[4-(4-methylpiperazin-1-yl)but-2-ynyl]amino]-3-methylbutanoate Traditional Name: 2-[(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)N(CC#CCN2CCN(CC2)C)C(C(C)C)C(=O)OC

Isomeric SMILES

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

InChI

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