4-[methyl-(phenylmethyl)sulfamoyl]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide

Systemtic Name: 4-[methyl-(phenylmethyl)sulfamoyl]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-[benzyl(methyl)sulfamoyl]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-[methyl-(phenylmethyl)sulfamoyl]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-[benzyl(methyl)sulfamoyl]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-[benzyl(methyl)sulfamoyl]-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C25H20N4O5S2 MolecularWeight: 520.5801

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])CC#C

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)[N+](=O)[O-])CC#C

InChI

InChI=1S/C25H20N4O5S2/c1-3-15-28-22-14-11-20(29(31)32)16-23(22)35-25(28)26-24(30)19-9-12-21(13-10-19)36(33,34)27(2)17-18-7-5-4-6-8-18/h1,4-14,16H,15,17H2,2H3