2-chloranyl-N-(4-methyl-1,3-benzothiazol-2-yl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-(4-methyl-1,3-benzothiazol-2-yl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)-5-pyrrolidinosulfonyl-benzamide Formula: C19H18ClN3O3S2 MolecularWeight: 435.94752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCCC4)Cl

InChI

InChI=1S/C19H18ClN3O3S2/c1-12-5-4-6-16-17(12)21-19(27-16)22-18(24)14-11-13(7-8-15(14)20)28(25,26)23-9-2-3-10-23/h4-8,11H,2-3,9-10H2,1H3,(H,21,22,24)