methylamino 2-(4-but-2-ynoxyphenyl)sulfonyl-2-(4-oxidanylcyclohexyl)propanoate

Systemtic Name: methylamino 2-(4-but-2-ynoxyphenyl)sulfonyl-2-(4-oxidanylcyclohexyl)propanoate Openeye Name: methylamino 2-(4-but-2-ynoxyphenyl)sulfonyl-2-(4-hydroxycyclohexyl)propanoate CAS Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-(4-hydroxycyclohexyl)propanoic acid methylamino ester IUPAC Name: methylamino 2-(4-but-2-ynoxyphenyl)sulfonyl-2-(4-hydroxycyclohexyl)propanoate Traditional Name: 2-(4-but-2-ynoxyphenyl)sulfonyl-2-(4-hydroxycyclohexyl)propionic acid methylamino ester Formula: C20H27NO6S MolecularWeight: 409.49648

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C)(C2CCC(CC2)O)C(=O)ONC

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C(C)(C2CCC(CC2)O)C(=O)ONC

InChI

InChI=1S/C20H27NO6S/c1-4-5-14-26-17-10-12-18(13-11-17)28(24,25)20(2,19(23)27-21-3)15-6-8-16(22)9-7-15/h10-13,15-16,21-22H,6-9,14H2,1-3H3