2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C19H18ClN3O3S3 MolecularWeight: 468.01252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C19H18ClN3O3S3/c20-13-3-8-17-16(11-13)22-19(28-17)27-12-18(24)21-14-4-6-15(7-5-14)29(25,26)23-9-1-2-10-23/h3-8,11H,1-2,9-10,12H2,(H,21,24)