N-(7-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(7-chloranyl-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(7-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=C2C(=C(C=C1)Cl)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)N2C

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)N2C

InChI

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