N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methyl-5-sulfamoyl-benzamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methyl-5-sulfamoyl-benzamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methyl-5-sulfamoyl-benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-methyl-5-sulfamoylbenzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-methyl-5-sulfamoylbenzamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methyl-5-sulfamoyl-benzamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3

InChI

InChI=1S/C21H27N3O4S/c1-15-5-10-18(29(22,26)27)13-19(15)21(25)23-14-20(24-11-3-4-12-24)16-6-8-17(28-2)9-7-16/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H,23,25)(H2,22,26,27)/p+1/t20-/m0/s1