4-(1,3-benzothiazol-2-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-(3-pyrrolidinosulfonylphenyl)butyramide Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S2/c25-20(11-6-12-21-23-18-9-1-2-10-19(18)28-21)22-16-7-5-8-17(15-16)29(26,27)24-13-3-4-14-24/h1-2,5,7-10,15H,3-4,6,11-14H2,(H,22,25)