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

Systemtic Name: N-tert-butylmethanamide; but-2-ynoxybenzene; 1-(sulfonylmethyl)piperidine-4-carboxamide Openeye Name: N-tert-butylformamide; but-2-ynoxybenzene; 1-(sulfonylmethyl)piperidine-4-carboxamide CAS Name: N-tert-butylformamide; but-2-ynoxybenzene; 1-(sulfonylmethyl)-4-piperidinecarboxamide IUPAC Name: N-tert-butylformamide; but-2-ynoxybenzene; 1-(sulfonylmethyl)piperidine-4-carboxamide Traditional Name: N-tert-butylformamide; but-2-ynoxybenzene; 1-(sulfonylmethyl)isonipecotamide Formula: C22H33N3O5S MolecularWeight: 451.57952

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC=C1.CC(C)(C)NC=O.C1CN(CCC1C(=O)N)C=S(=O)=O

Isomeric SMILES

CC#CCOC1=CC=CC=C1.CC(C)(C)NC=O.C1CN(CCC1C(=O)N)C=S(=O)=O

InChI

InChI=1S/C10H10O.C7H12N2O3S.C5H11NO/c1-2-3-9-11-10-7-5-4-6-8-10;8-7(10)6-1-3-9(4-2-6)5-13(11)12;1-5(2,3)6-4-7/h4-8H,9H2,1H3;5-6H,1-4H2,(H2,8,10);4H,1-3H3,(H,6,7)