but-2-ynoxybenzene; methylamino 2-(4-oxidanylidenecyclohexyl)-2-sulfonyl-ethanoate

Systemtic Name: but-2-ynoxybenzene; methylamino 2-(4-oxidanylidenecyclohexyl)-2-sulfonyl-ethanoate Openeye Name: but-2-ynoxybenzene; methylamino 2-(4-oxocyclohexyl)-2-sulfonyl-acetate CAS Name: but-2-ynoxybenzene; 2-(4-oxocyclohexyl)-2-sulfonylacetic acid methylamino ester IUPAC Name: but-2-ynoxybenzene; methylamino 2-(4-oxocyclohexyl)-2-sulfonylacetate Traditional Name: but-2-ynoxybenzene; 2-(4-ketocyclohexyl)-2-sulfonyl-acetic acid methylamino ester Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC=C1.CNOC(=O)C(=S(=O)=O)C1CCC(=O)CC1

Isomeric SMILES

CC#CCOC1=CC=CC=C1.CNOC(=O)C(=S(=O)=O)C1CCC(=O)CC1

InChI

InChI=1S/C10H10O.C9H13NO5S/c1-2-3-9-11-10-7-5-4-6-8-10;1-10-15-9(12)8(16(13)14)6-2-4-7(11)5-3-6/h4-8H,9H2,1H3;6,10H,2-5H2,1H3