N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-4-(phenylsulfonylamino)benzamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-4-(phenylsulfonylamino)benzamide Openeye Name: 4-(benzenesulfonamido)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]benzamide CAS Name: 4-(benzenesulfonamido)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzamide IUPAC Name: 4-(benzenesulfonamido)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]benzamide Traditional Name: 4-(benzenesulfonamido)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]benzamide Formula: C24H26N3O3S+ MolecularWeight: 436.54654

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O3S/c28-24(25-22-15-16-27(18-22)17-19-7-3-1-4-8-19)20-11-13-21(14-12-20)26-31(29,30)23-9-5-2-6-10-23/h1-14,22,26H,15-18H2,(H,25,28)/p+1/t22-/m0/s1