methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylate

Systemtic Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylate Openeye Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylate CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-methoxyphenyl)sulfonyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-methoxyphenyl)sulfonyl-isonipecotic acid methyl ester Formula: C24H27NO8S2 MolecularWeight: 521.60308

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C24H27NO8S2/c1-4-5-18-33-20-8-10-21(11-9-20)34(27,28)24(23(26)32-3)14-16-25(17-15-24)35(29,30)22-12-6-19(31-2)7-13-22/h6-13H,14-18H2,1-3H3