N-[(2-methylpropan-2-yl)oxy]-4-[2-(pyridin-3-ylcarbonylamino)ethylsulfonyl]piperazine-2-carboxamide dihydrochloride

Systemtic Name: N-[(2-methylpropan-2-yl)oxy]-4-[2-(pyridin-3-ylcarbonylamino)ethylsulfonyl]piperazine-2-carboxamide dihydrochloride Openeye Name: N-tert-butoxy-4-[2-(pyridine-3-carbonylamino)ethylsulfonyl]piperazine-2-carboxamide dihydrochloride CAS Name: N-[(2-methylpropan-2-yl)oxy]-4-[2-[[oxo(3-pyridinyl)methyl]amino]ethylsulfonyl]-2-piperazinecarboxamide dihydrochloride IUPAC Name: N-[(2-methylpropan-2-yl)oxy]-4-[2-(pyridine-3-carbonylamino)ethylsulfonyl]piperazine-2-carboxamide dihydrochloride Traditional Name: N-tert-butoxy-4-(2-nicotinamidoethylsulfonyl)piperazine-2-carboxamide dihydrochloride Formula: C17H29Cl2N5O5S MolecularWeight: 486.41366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)ONC(=O)C1CN(CCN1)S(=O)(=O)CCNC(=O)C2=CN=CC=C2.Cl.Cl

Isomeric SMILES

CC(C)(C)ONC(=O)C1CN(CCN1)S(=O)(=O)CCNC(=O)C2=CN=CC=C2.Cl.Cl

InChI

InChI=1S/C17H27N5O5S.2ClH/c1-17(2,3)27-21-16(24)14-12-22(9-7-19-14)28(25,26)10-8-20-15(23)13-5-4-6-18-11-13;;/h4-6,11,14,19H,7-10,12H2,1-3H3,(H,20,23)(H,21,24);2*1H