N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(4-methylphenyl)sulfonyl-propanamide

Systemtic Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(4-methylphenyl)sulfonyl-propanamide Openeye Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(p-tolylsulfonyl)propanamide CAS Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(4-methylphenyl)sulfonylpropanamide IUPAC Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-(4-methylphenyl)sulfonylpropanamide Traditional Name: N-(3-methyl-5-nitro-1,3-benzothiazol-2-ylidene)-3-tosyl-propionamide Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17N3O5S2/c1-12-3-6-14(7-4-12)28(25,26)10-9-17(22)19-18-20(2)15-11-13(21(23)24)5-8-16(15)27-18/h3-8,11H,9-10H2,1-2H3