N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidinosulfonyl-benzamide Formula: C23H22N4O4S2 MolecularWeight: 482.57518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)S2)CC#C

InChI

InChI=1S/C23H22N4O4S2/c1-3-12-27-20-11-8-18(24-16(2)28)15-21(20)32-23(27)25-22(29)17-6-9-19(10-7-17)33(30,31)26-13-4-5-14-26/h1,6-11,15H,4-5,12-14H2,2H3,(H,24,28)