2-[(3S)-1-(4-chloranyl-3-nitro-phenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole

Systemtic Name: 2-[(3S)-1-(4-chloranyl-3-nitro-phenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole Openeye Name: 2-[(3S)-1-(4-chloro-3-nitro-phenyl)sulfonyl-3-piperidyl]-1,3-benzothiazole CAS Name: 2-[(3S)-1-(4-chloro-3-nitrophenyl)sulfonyl-3-piperidinyl]-1,3-benzothiazole IUPAC Name: 2-[(3S)-1-(4-chloro-3-nitrophenyl)sulfonylpiperidin-3-yl]-1,3-benzothiazole Traditional Name: 2-[(3S)-1-(4-chloro-3-nitro-phenyl)sulfonyl-3-piperidyl]-1,3-benzothiazole Formula: C18H16ClN3O4S2 MolecularWeight: 437.92034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O4S2/c19-14-8-7-13(10-16(14)22(23)24)28(25,26)21-9-3-4-12(11-21)18-20-15-5-1-2-6-17(15)27-18/h1-2,5-8,10,12H,3-4,9,11H2/t12-/m0/s1