4-(1,3-benzothiazol-2-yl)-N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-(4-chloro-3-pyrrolidin-1-ylsulfonyl-phenyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-(4-chloro-3-pyrrolidinosulfonyl-phenyl)butyramide Formula: C21H22ClN3O3S2 MolecularWeight: 464.00068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CCCC3=NC4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)NC(=O)CCCC3=NC4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H22ClN3O3S2/c22-16-11-10-15(14-19(16)30(27,28)25-12-3-4-13-25)23-20(26)8-5-9-21-24-17-6-1-2-7-18(17)29-21/h1-2,6-7,10-11,14H,3-5,8-9,12-13H2,(H,23,26)