diethyl-[2-[2-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]benzimidazol-1-yl]ethyl]azanium

Systemtic Name: diethyl-[2-[2-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]benzimidazol-1-yl]ethyl]azanium Openeye Name: diethyl-[2-[2-[(1-methylsulfonylpiperidine-4-carbonyl)amino]benzimidazol-1-yl]ethyl]ammonium CAS Name: diethyl-[2-[2-[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]amino]-1-benzimidazolyl]ethyl]ammonium IUPAC Name: diethyl-[2-[2-[(1-methylsulfonylpiperidine-4-carbonyl)amino]benzimidazol-1-yl]ethyl]azanium Traditional Name: diethyl-[2-[2-[(1-mesylisonipecotoyl)amino]benzimidazol-1-yl]ethyl]ammonium Formula: C20H32N5O3S+ MolecularWeight: 422.56478

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N=C1NC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C20H31N5O3S/c1-4-23(5-2)14-15-25-18-9-7-6-8-17(18)21-20(25)22-19(26)16-10-12-24(13-11-16)29(3,27)28/h6-9,16H,4-5,10-15H2,1-3H3,(H,21,22,26)/p+1