N-tert-butylmethanamide; but-2-ynoxybenzene; 4-oxidanyl-1-(sulfonylmethyl)piperidine-4-carboxamide

Systemtic Name: N-tert-butylmethanamide; but-2-ynoxybenzene; 4-oxidanyl-1-(sulfonylmethyl)piperidine-4-carboxamide Openeye Name: N-tert-butylformamide; but-2-ynoxybenzene; 4-hydroxy-1-(sulfonylmethyl)piperidine-4-carboxamide CAS Name: N-tert-butylformamide; but-2-ynoxybenzene; 4-hydroxy-1-(sulfonylmethyl)-4-piperidinecarboxamide IUPAC Name: N-tert-butylformamide; but-2-ynoxybenzene; 4-hydroxy-1-(sulfonylmethyl)piperidine-4-carboxamide Traditional Name: N-tert-butylformamide; but-2-ynoxybenzene; 4-hydroxy-1-(sulfonylmethyl)isonipecotamide Formula: C22H33N3O6S MolecularWeight: 467.57892

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC=C1.CC(C)(C)NC=O.C1CN(CCC1(C(=O)N)O)C=S(=O)=O

Isomeric SMILES

CC#CCOC1=CC=CC=C1.CC(C)(C)NC=O.C1CN(CCC1(C(=O)N)O)C=S(=O)=O

InChI

InChI=1S/C10H10O.C7H12N2O4S.C5H11NO/c1-2-3-9-11-10-7-5-4-6-8-10;8-6(10)7(11)1-3-9(4-2-7)5-14(12)13;1-5(2,3)6-4-7/h4-8H,9H2,1H3;5,11H,1-4H2,(H2,8,10);4H,1-3H3,(H,6,7)