N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[2-(1,3-benzothiazol-2-ylthio)ethyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[2-(1,3-benzothiazol-2-ylthio)ethyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C16H15N3O4S3 MolecularWeight: 409.503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCSC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCSC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O4S3/c1-11-6-7-12(10-14(11)19(20)21)26(22,23)17-8-9-24-16-18-13-4-2-3-5-15(13)25-16/h2-7,10,17H,8-9H2,1H3