N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[3-(1,3-benzothiazol-2-yl)phenyl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[3-(1,3-benzothiazol-2-yl)phenyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[3-(1,3-benzothiazol-2-yl)phenyl]propanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-besyl-propionamide Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H18N2O3S2/c25-21(13-14-29(26,27)18-9-2-1-3-10-18)23-17-8-6-7-16(15-17)22-24-19-11-4-5-12-20(19)28-22/h1-12,15H,13-14H2,(H,23,25)