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

Systemtic Name: N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(4-methoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4-methoxy-3-propargyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidinosulfonyl-benzamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)N2CC#C

Isomeric SMILES

COC1=C2C(=CC=C1)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)N2CC#C

InChI

InChI=1S/C22H21N3O4S2/c1-3-13-25-20-18(29-2)7-6-8-19(20)30-22(25)23-21(26)16-9-11-17(12-10-16)31(27,28)24-14-4-5-15-24/h1,6-12H,4-5,13-15H2,2H3