dimethyl-[1-[[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]methyl]cycloheptyl]azanium

Systemtic Name: dimethyl-[1-[[(3-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]methyl]cycloheptyl]azanium Openeye Name: dimethyl-[1-[[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]cycloheptyl]ammonium CAS Name: dimethyl-[1-[[[oxo-[3-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]methyl]cycloheptyl]ammonium IUPAC Name: dimethyl-[1-[[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]methyl]cycloheptyl]azanium Traditional Name: dimethyl-[1-[[(3-pyrrolidinosulfonylbenzoyl)amino]methyl]cycloheptyl]ammonium Formula: C21H34N3O3S+ MolecularWeight: 408.57796

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCCC1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C[NH+](C)C1(CCCCCC1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H33N3O3S/c1-23(2)21(12-5-3-4-6-13-21)17-22-20(25)18-10-9-11-19(16-18)28(26,27)24-14-7-8-15-24/h9-11,16H,3-8,12-15,17H2,1-2H3,(H,22,25)/p+1