but-2-ynoxybenzene; 1-but-2-ynyl-N-oxidanyl-4-(sulfonylmethyl)piperidine-4-carboxamide; hydrochloride

Systemtic Name: but-2-ynoxybenzene; 1-but-2-ynyl-N-oxidanyl-4-(sulfonylmethyl)piperidine-4-carboxamide; hydrochloride Openeye Name: but-2-ynoxybenzene; 1-but-2-ynyl-4-(sulfonylmethyl)piperidine-4-carbohydroxamic acid; hydrochloride CAS Name: but-2-ynoxybenzene; 1-but-2-ynyl-N-hydroxy-4-(sulfonylmethyl)-4-piperidinecarboxamide; hydrochloride IUPAC Name: but-2-ynoxybenzene; 1-but-2-ynyl-N-hydroxy-4-(sulfonylmethyl)piperidine-4-carboxamide; hydrochloride Traditional Name: but-2-ynoxybenzene; 1-but-2-ynyl-4-(sulfonylmethyl)piperidine-4-carbohydroxamic acid; hydrochloride Formula: C21H27ClN2O5S MolecularWeight: 454.96748

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCN1CCC(CC1)(C=S(=O)=O)C(=O)NO.CC#CCOC1=CC=CC=C1.Cl

Isomeric SMILES

CC#CCN1CCC(CC1)(C=S(=O)=O)C(=O)NO.CC#CCOC1=CC=CC=C1.Cl

InChI

InChI=1S/C11H16N2O4S.C10H10O.ClH/c1-2-3-6-13-7-4-11(5-8-13,9-18(16)17)10(14)12-15;1-2-3-9-11-10-7-5-4-6-8-10;/h9,15H,4-8H2,1H3,(H,12,14);4-8H,9H2,1H3;1H