methyl 2-[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-[benzyl(methyl)sulfamoyl]benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]-oxomethyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-[benzyl(methyl)sulfamoyl]benzoyl]imino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-[benzyl(methyl)sulfamoyl]benzoyl]imino-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C27H23N3O5S2 MolecularWeight: 533.61862

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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)C(=O)OC)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)C(=O)OC)CC#C

InChI

InChI=1S/C27H23N3O5S2/c1-4-16-30-23-15-12-21(26(32)35-3)17-24(23)36-27(30)28-25(31)20-10-13-22(14-11-20)37(33,34)29(2)18-19-8-6-5-7-9-19/h1,5-15,17H,16,18H2,2-3H3