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

Systemtic Name: 4-[ethyl-(phenylmethyl)sulfamoyl]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 4-[benzyl(ethyl)sulfamoyl]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-[ethyl-(phenylmethyl)sulfamoyl]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-[benzyl(ethyl)sulfamoyl]-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-[benzyl(ethyl)sulfamoyl]-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C26H22N4O5S2 MolecularWeight: 534.60668

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Descriptors Computed from Structure

Canonical SMILES:

CCN(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

CCN(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/C26H22N4O5S2/c1-3-16-29-23-15-12-21(30(32)33)17-24(23)36-26(29)27-25(31)20-10-13-22(14-11-20)37(34,35)28(4-2)18-19-8-6-5-7-9-19/h1,5-15,17H,4,16,18H2,2H3