4-bromanyl-2-chloranyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzenesulfonamide

Systemtic Name: 4-bromanyl-2-chloranyl-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzenesulfonamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-bromo-2-chloro-benzenesulfonamide CAS Name: 4-bromo-2-chloro-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzenesulfonamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-bromo-2-chlorobenzenesulfonamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-bromo-2-chloro-benzenesulfonamide Formula: C17H19BrClN2O2S+ MolecularWeight: 430.76696

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NS(=O)(=O)C2=C(C=C(C=C2)Br)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](C[C@H]1NS(=O)(=O)C2=C(C=C(C=C2)Br)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C17H18BrClN2O2S/c18-14-6-7-17(16(19)10-14)24(22,23)20-15-8-9-21(12-15)11-13-4-2-1-3-5-13/h1-7,10,15,20H,8-9,11-12H2/p+1/t15-/m0/s1