4-(4-methylphenyl)sulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(p-tolylsulfonyl)butanamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)-4-tosyl-butyramide Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5S2/c1-3-12-23-18-11-8-16(24(26)27)14-19(18)30-21(23)22-20(25)5-4-13-31(28,29)17-9-6-15(2)7-10-17/h1,6-11,14H,4-5,12-13H2,2H3