2-[methyl-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]sulfamoyl]-3-piperidin-3-yl-naphthalene-1-carboximidamide hydrochloride

Systemtic Name: 2-[methyl-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]sulfamoyl]-3-piperidin-3-yl-naphthalene-1-carboximidamide hydrochloride Openeye Name: 2-[methyl-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]sulfamoyl]-3-(3-piperidyl)naphthalene-1-carboxamidine hydrochloride CAS Name: 2-[methyl-[[1-oxo-3-(2-oxo-1,3-benzoxazol-3-yl)propyl]amino]sulfamoyl]-3-(3-piperidinyl)-1-naphthalenecarboximidamide hydrochloride IUPAC Name: 2-[methyl-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]sulfamoyl]-3-piperidin-3-ylnaphthalene-1-carboximidamide hydrochloride Traditional Name: 2-[[3-(2-keto-1,3-benzoxazol-3-yl)propanoylamino]-methyl-sulfamoyl]-3-(3-piperidyl)-1-naphthamidine hydrochloride Formula: C27H31ClN6O5S MolecularWeight: 587.09024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(NC(=O)CCN1C2=CC=CC=C2OC1=O)S(=O)(=O)C3=C(C4=CC=CC=C4C=C3C5CCCNC5)C(=N)N.Cl

Isomeric SMILES

CN(NC(=O)CCN1C2=CC=CC=C2OC1=O)S(=O)(=O)C3=C(C4=CC=CC=C4C=C3C5CCCNC5)C(=N)N.Cl

InChI

InChI=1S/C27H30N6O5S.ClH/c1-32(31-23(34)12-14-33-21-10-4-5-11-22(21)38-27(33)35)39(36,37)25-20(18-8-6-13-30-16-18)15-17-7-2-3-9-19(17)24(25)26(28)29;/h2-5,7,9-11,15,18,30H,6,8,12-14,16H2,1H3,(H3,28,29)(H,31,34);1H