cyclohexyl-methyl-[(4R)-7-oxidanylidene-1-[2-(phenylsulfonyl)ethyl]azepan-4-yl]azanium

Systemtic Name: cyclohexyl-methyl-[(4R)-7-oxidanylidene-1-[2-(phenylsulfonyl)ethyl]azepan-4-yl]azanium Openeye Name: [(4R)-1-[2-(benzenesulfonyl)ethyl]-7-oxo-azepan-4-yl]-cyclohexyl-methyl-ammonium CAS Name: [(4R)-1-[2-(benzenesulfonyl)ethyl]-7-oxo-4-azepanyl]-cyclohexyl-methylammonium IUPAC Name: [(4R)-1-[2-(benzenesulfonyl)ethyl]-7-oxoazepan-4-yl]-cyclohexyl-methylazanium Traditional Name: [(4R)-1-(2-besylethyl)-7-keto-azepan-4-yl]-cyclohexyl-methyl-ammonium Formula: C21H33N2O3S+ MolecularWeight: 393.56332

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C1CCCCC1)C2CCC(=O)N(CC2)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[NH+]([C@@H]1CCC(=O)N(CC1)CCS(=O)(=O)C2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C21H32N2O3S/c1-22(18-8-4-2-5-9-18)19-12-13-21(24)23(15-14-19)16-17-27(25,26)20-10-6-3-7-11-20/h3,6-7,10-11,18-19H,2,4-5,8-9,12-17H2,1H3/p+1/t19-/m1/s1