2-[(2R)-1-(4-methylsulfonyl-2-nitro-phenyl)pyrrolidin-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[(2R)-1-(4-methylsulfonyl-2-nitro-phenyl)pyrrolidin-2-yl]-1,3-benzothiazole Openeye Name: 2-[(2R)-1-(4-methylsulfonyl-2-nitro-phenyl)pyrrolidin-2-yl]-1,3-benzothiazole CAS Name: 2-[(2R)-1-(4-methylsulfonyl-2-nitrophenyl)-2-pyrrolidinyl]-1,3-benzothiazole IUPAC Name: 2-[(2R)-1-(4-methylsulfonyl-2-nitrophenyl)pyrrolidin-2-yl]-1,3-benzothiazole Traditional Name: 2-[(2R)-1-(4-mesyl-2-nitro-phenyl)pyrrolidin-2-yl]-1,3-benzothiazole Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCCC2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC[C@@H]2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S2/c1-27(24,25)12-8-9-14(16(11-12)21(22)23)20-10-4-6-15(20)18-19-13-5-2-3-7-17(13)26-18/h2-3,5,7-9,11,15H,4,6,10H2,1H3/t15-/m1/s1