2-[(2S)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2S)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2S)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole CAS Name: 2-[(2S)-1-(4-nitrophenyl)sulfonyl-2-pyrrolidinyl]-1,3-benzothiazole IUPAC Name: 2-[(2S)-1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2S)-1-nosylpyrrolidin-2-yl]-1,3-benzothiazole Formula: C17H15N3O4S2 MolecularWeight: 389.4487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S2/c21-20(22)12-7-9-13(10-8-12)26(23,24)19-11-3-5-15(19)17-18-14-4-1-2-6-16(14)25-17/h1-2,4,6-10,15H,3,5,11H2/t15-/m0/s1