but-2-ynoxybenzene; N-[(2-methylpropan-2-yl)oxy]-4-(sulfonylmethyl)piperidine-4-carboxamide

Systemtic Name: but-2-ynoxybenzene; N-[(2-methylpropan-2-yl)oxy]-4-(sulfonylmethyl)piperidine-4-carboxamide Openeye Name: N-tert-butoxy-4-(sulfonylmethyl)piperidine-4-carboxamide; but-2-ynoxybenzene CAS Name: but-2-ynoxybenzene; N-[(2-methylpropan-2-yl)oxy]-4-(sulfonylmethyl)-4-piperidinecarboxamide IUPAC Name: but-2-ynoxybenzene; N-[(2-methylpropan-2-yl)oxy]-4-(sulfonylmethyl)piperidine-4-carboxamide Traditional Name: N-tert-butoxy-4-(sulfonylmethyl)isonipecotamide; but-2-ynoxybenzene Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC=C1.CC(C)(C)ONC(=O)C1(CCNCC1)C=S(=O)=O

Isomeric SMILES

CC#CCOC1=CC=CC=C1.CC(C)(C)ONC(=O)C1(CCNCC1)C=S(=O)=O

InChI

InChI=1S/C11H20N2O4S.C10H10O/c1-10(2,3)17-13-9(14)11(8-18(15)16)4-6-12-7-5-11;1-2-3-9-11-10-7-5-4-6-8-10/h8,12H,4-7H2,1-3H3,(H,13,14);4-8H,9H2,1H3