5-(1,3-benzothiazol-2-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)pentanamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)pentanamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)pentanamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]pentanamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)pentanamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-(3-pyrrolidinosulfonylphenyl)valeramide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O3S2/c26-21(12-3-4-13-22-24-19-10-1-2-11-20(19)29-22)23-17-8-7-9-18(16-17)30(27,28)25-14-5-6-15-25/h1-2,7-11,16H,3-6,12-15H2,(H,23,26)