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

Systemtic Name: N-(4-chloranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(4-chloro-3-propargyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidinosulfonyl-benzamide Formula: C21H18ClN3O3S2 MolecularWeight: 459.96892

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=CC=C2Cl)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C#CCN1C2=C(C=CC=C2Cl)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H18ClN3O3S2/c1-2-12-25-19-17(22)6-5-7-18(19)29-21(25)23-20(26)15-8-10-16(11-9-15)30(27,28)24-13-3-4-14-24/h1,5-11H,3-4,12-14H2