4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-nitro-benzenesulfonamide CAS Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-nitro-benzenesulfonamide Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](N(C1)C2=C(C=C(C=C2)S(=O)(=O)N)[N+](=O)[O-])C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H16N4O4S2/c18-27(24,25)11-7-8-13(15(10-11)21(22)23)20-9-3-5-14(20)17-19-12-4-1-2-6-16(12)26-17/h1-2,4,6-8,10,14H,3,5,9H2,(H2,18,24,25)/t14-/m1/s1