azanyl 3-(4-but-2-ynoxyphenyl)-1-methyl-2-sulfonyl-cyclohexane-1-carboxylate

Systemtic Name: azanyl 3-(4-but-2-ynoxyphenyl)-1-methyl-2-sulfonyl-cyclohexane-1-carboxylate Openeye Name: amino 3-(4-but-2-ynoxyphenyl)-1-methyl-2-sulfonyl-cyclohexanecarboxylate CAS Name: 3-(4-but-2-ynoxyphenyl)-1-methyl-2-sulfonyl-1-cyclohexanecarboxylic acid amino ester IUPAC Name: amino 3-(4-but-2-ynoxyphenyl)-1-methyl-2-sulfonylcyclohexane-1-carboxylate Traditional Name: 3-(4-but-2-ynoxyphenyl)-1-methyl-2-sulfonyl-cyclohexanecarboxylic acid amino ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)C2CCCC(C2=S(=O)=O)(C)C(=O)ON

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)C2CCCC(C2=S(=O)=O)(C)C(=O)ON

InChI

InChI=1S/C18H21NO5S/c1-3-4-12-23-14-9-7-13(8-10-14)15-6-5-11-18(2,17(20)24-19)16(15)25(21)22/h7-10,15H,5-6,11-12,19H2,1-2H3