N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]naphthalene-2-sulfonamide

Systemtic Name: N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]naphthalene-2-sulfonamide Openeye Name: N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxo-ethyl]naphthalene-2-sulfonamide CAS Name: N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-2-oxoethyl]-2-naphthalenesulfonamide IUPAC Name: N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]naphthalene-2-sulfonamide Traditional Name: N-[2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-2-keto-ethyl]naphthalene-2-sulfonamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H21N3O3S2/c27-22(15-24-31(28,29)18-12-11-16-6-1-2-7-17(16)14-18)26-13-5-9-20(26)23-25-19-8-3-4-10-21(19)30-23/h1-4,6-8,10-12,14,20,24H,5,9,13,15H2/t20-/m0/s1