N-(4-methylcyclohexyl)-3-nitro-4-[4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepan-4-ium-1-yl]benzenesulfonamide

Systemtic Name: N-(4-methylcyclohexyl)-3-nitro-4-[4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepan-4-ium-1-yl]benzenesulfonamide Openeye Name: N-(4-methylcyclohexyl)-3-nitro-4-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-diazepan-4-ium-1-yl]benzenesulfonamide CAS Name: N-(4-methylcyclohexyl)-3-nitro-4-[4-[[(2S)-2-oxolanyl]methyl]-1,4-diazepan-4-ium-1-yl]benzenesulfonamide IUPAC Name: N-(4-methylcyclohexyl)-3-nitro-4-[4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepan-4-ium-1-yl]benzenesulfonamide Traditional Name: N-(4-methylcyclohexyl)-3-nitro-4-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]-1,4-diazepan-4-ium-1-yl]benzenesulfonamide Formula: C23H37N4O5S+ MolecularWeight: 481.62868

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCC[NH+](CC3)CC4CCCO4)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCC[NH+](CC3)C[C@@H]4CCCO4)[N+](=O)[O-]

InChI

InChI=1S/C23H36N4O5S/c1-18-5-7-19(8-6-18)24-33(30,31)21-9-10-22(23(16-21)27(28)29)26-12-3-11-25(13-14-26)17-20-4-2-15-32-20/h9-10,16,18-20,24H,2-8,11-15,17H2,1H3/p+1/t18?,19?,20-/m0/s1