N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C20H20ClN3O3S2 MolecularWeight: 449.9741

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN3O3S2/c21-15-6-9-17-18(13-15)28-20(22-17)23-19(25)10-5-14-3-7-16(8-4-14)29(26,27)24-11-1-2-12-24/h3-4,6-9,13H,1-2,5,10-12H2,(H,22,23,25)