N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide

Systemtic Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide Openeye Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzenesulfonamide CAS Name: N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-4-(1-pyrrolidinylsulfonyl)benzenesulfonamide IUPAC Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide Traditional Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-4-pyrrolidinosulfonyl-benzenesulfonamide Formula: C22H32N3O4S3+ MolecularWeight: 498.70218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=CS4

InChI

InChI=1S/C22H31N3O4S3/c1-18-10-14-24(15-11-18)21(22-5-4-16-30-22)17-23-31(26,27)19-6-8-20(9-7-19)32(28,29)25-12-2-3-13-25/h4-9,16,18,21,23H,2-3,10-15,17H2,1H3/p+1/t21-/m1/s1