N-(4-methylcyclohexyl)-3-nitro-4-(2-pyrrolidin-1-ium-1-ylethylamino)benzenesulfonamide

Systemtic Name: N-(4-methylcyclohexyl)-3-nitro-4-(2-pyrrolidin-1-ium-1-ylethylamino)benzenesulfonamide Openeye Name: N-(4-methylcyclohexyl)-3-nitro-4-(2-pyrrolidin-1-ium-1-ylethylamino)benzenesulfonamide CAS Name: N-(4-methylcyclohexyl)-3-nitro-4-[2-(1-pyrrolidin-1-iumyl)ethylamino]benzenesulfonamide IUPAC Name: N-(4-methylcyclohexyl)-3-nitro-4-(2-pyrrolidin-1-ium-1-ylethylamino)benzenesulfonamide Traditional Name: N-(4-methylcyclohexyl)-3-nitro-4-(2-pyrrolidin-1-ium-1-ylethylamino)benzenesulfonamide Formula: C19H31N4O4S+ MolecularWeight: 411.53884

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCC[NH+]3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)NCC[NH+]3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O4S/c1-15-4-6-16(7-5-15)21-28(26,27)17-8-9-18(19(14-17)23(24)25)20-10-13-22-11-2-3-12-22/h8-9,14-16,20-21H,2-7,10-13H2,1H3/p+1