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

Systemtic Name: 2-[methyl-[3-(3-nitrophenyl)propanoylamino]sulfamoyl]-3-piperidin-3-yl-naphthalene-1-carboximidamide hydrochloride Openeye Name: 2-[methyl-[3-(3-nitrophenyl)propanoylamino]sulfamoyl]-3-(3-piperidyl)naphthalene-1-carboxamidine hydrochloride CAS Name: 2-[methyl-[[3-(3-nitrophenyl)-1-oxopropyl]amino]sulfamoyl]-3-(3-piperidinyl)-1-naphthalenecarboximidamide hydrochloride IUPAC Name: 2-[methyl-[3-(3-nitrophenyl)propanoylamino]sulfamoyl]-3-piperidin-3-ylnaphthalene-1-carboximidamide hydrochloride Traditional Name: 2-[methyl-[3-(3-nitrophenyl)propanoylamino]sulfamoyl]-3-(3-piperidyl)-1-naphthamidine hydrochloride Formula: C26H31ClN6O5S MolecularWeight: 575.07954

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Descriptors Computed from Structure

Canonical SMILES:

CN(NC(=O)CCC1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=C(C3=CC=CC=C3C=C2C4CCCNC4)C(=N)N.Cl

Isomeric SMILES

CN(NC(=O)CCC1=CC(=CC=C1)[N+](=O)[O-])S(=O)(=O)C2=C(C3=CC=CC=C3C=C2C4CCCNC4)C(=N)N.Cl

InChI

InChI=1S/C26H30N6O5S.ClH/c1-31(30-23(33)12-11-17-6-4-9-20(14-17)32(34)35)38(36,37)25-22(19-8-5-13-29-16-19)15-18-7-2-3-10-21(18)24(25)26(27)28;/h2-4,6-7,9-10,14-15,19,29H,5,8,11-13,16H2,1H3,(H3,27,28)(H,30,33);1H