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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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