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

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N,2-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N,2-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N,2-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N,2-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-N,2-dimethyl-5-nitro-benzenesulfonamide Formula: C16H15N3O4S2 MolecularWeight: 377.438

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O4S2/c1-11-7-8-12(19(20)21)9-15(11)25(22,23)18(2)10-16-17-13-5-3-4-6-14(13)24-16/h3-9H,10H2,1-2H3