N-(1,3-benzothiazol-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-3-(4-pyrrolidinosulfonylphenyl)propionamide 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)CCC(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=NC4=CC=CC=C4S3

InChI

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