but-2-ynoxybenzene; 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(sulfonylamino)piperidine-4-carboxylic acid

Systemtic Name: but-2-ynoxybenzene; 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(sulfonylamino)piperidine-4-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-(sulfonylamino)piperidine-4-carboxylic acid; but-2-ynoxybenzene CAS Name: but-2-ynoxybenzene; 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(sulfonylamino)-4-piperidinecarboxylic acid IUPAC Name: but-2-ynoxybenzene; 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(sulfonylamino)piperidine-4-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-(sulfonylamino)isonipecotic acid; but-2-ynoxybenzene Formula: C21H28N2O7S MolecularWeight: 452.52122

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=CC=C1.CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)N=S(=O)=O

Isomeric SMILES

CC#CCOC1=CC=CC=C1.CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)N=S(=O)=O

InChI

InChI=1S/C11H18N2O6S.C10H10O/c1-10(2,3)19-9(16)13-6-4-11(5-7-13,8(14)15)12-20(17)18;1-2-3-9-11-10-7-5-4-6-8-10/h4-7H2,1-3H3,(H,14,15);4-8H,9H2,1H3