N-(1,3-benzothiazol-2-ylmethyl)-3-chloranyl-N,4-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3-chloranyl-N,4-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-chloro-N,4-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-chloro-N,4-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-chloro-N,4-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3-chloro-N,4-dimethyl-5-nitro-benzenesulfonamide Formula: C16H14ClN3O4S2 MolecularWeight: 411.88306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N(C)CC2=NC3=CC=CC=C3S2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N(C)CC2=NC3=CC=CC=C3S2)Cl

InChI

InChI=1S/C16H14ClN3O4S2/c1-10-12(17)7-11(8-14(10)20(21)22)26(23,24)19(2)9-16-18-13-5-3-4-6-15(13)25-16/h3-8H,9H2,1-2H3