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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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