N-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylphenyl]benzenesulfonamide

Systemtic Name: N-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]carbonylphenyl]benzenesulfonamide Openeye Name: N-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide CAS Name: N-[3-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-oxomethyl]phenyl]benzenesulfonamide IUPAC Name: N-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide Traditional Name: N-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide Formula: C24H21N3O3S2 MolecularWeight: 463.57184

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H21N3O3S2/c28-24(27-15-7-13-21(27)23-25-20-12-4-5-14-22(20)31-23)17-8-6-9-18(16-17)26-32(29,30)19-10-2-1-3-11-19/h1-6,8-12,14,16,21,26H,7,13,15H2/t21-/m0/s1