N-(3-dodecylsulfanyl-2-nitro-phenyl)-1,3-benzothiazole-2-sulfonamide

Systemtic Name: N-(3-dodecylsulfanyl-2-nitro-phenyl)-1,3-benzothiazole-2-sulfonamide Openeye Name: N-(3-dodecylsulfanyl-2-nitro-phenyl)-1,3-benzothiazole-2-sulfonamide CAS Name: N-[3-(dodecylthio)-2-nitrophenyl]-1,3-benzothiazole-2-sulfonamide IUPAC Name: N-(3-dodecylsulfanyl-2-nitrophenyl)-1,3-benzothiazole-2-sulfonamide Traditional Name: N-[3-(laurylthio)-2-nitro-phenyl]-1,3-benzothiazole-2-sulfonamide Formula: C25H33N3O4S3 MolecularWeight: 535.74222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=CC=CC(=C1[N+](=O)[O-])NS(=O)(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCCCCCCCCSC1=CC=CC(=C1[N+](=O)[O-])NS(=O)(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C25H33N3O4S3/c1-2-3-4-5-6-7-8-9-10-13-19-33-23-18-14-16-21(24(23)28(29)30)27-35(31,32)25-26-20-15-11-12-17-22(20)34-25/h11-12,14-18,27H,2-10,13,19H2,1H3