N-(5-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(5-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(5-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidinosulfonyl-benzamide Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)S2)C)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N(C(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)S2)C)Cl

InChI

InChI=1S/C20H20ClN3O3S2/c1-13-16(21)9-10-17-18(13)23(2)20(28-17)22-19(25)14-5-7-15(8-6-14)29(26,27)24-11-3-4-12-24/h5-10H,3-4,11-12H2,1-2H3