methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(4-methylsulfonylpiperazin-1-yl)hex-4-ynoate

Systemtic Name: methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(4-methylsulfonylpiperazin-1-yl)hex-4-ynoate Openeye Name: methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(4-methylsulfonylpiperazin-1-yl)hex-4-ynoate CAS Name: 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(4-methylsulfonyl-1-piperazinyl)-4-hexynoic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]-6-(4-methylsulfonylpiperazin-1-yl)hex-4-ynoate Traditional Name: 6-(4-mesylpiperazino)-2-[[4-(4-methoxyphenyl)phenyl]sulfonylamino]hex-4-ynoic acid methyl ester Formula: C25H31N3O7S2 MolecularWeight: 549.65954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC#CCN3CCN(CC3)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)NC(CC#CCN3CCN(CC3)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C25H31N3O7S2/c1-34-22-11-7-20(8-12-22)21-9-13-23(14-10-21)37(32,33)26-24(25(29)35-2)6-4-5-15-27-16-18-28(19-17-27)36(3,30)31/h7-14,24,26H,6,15-19H2,1-3H3