N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-benzylsulfonyl-butanamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-benzylsulfonylbutanamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-benzylsulfonyl-butyramide Formula: C24H22N2O3S2 MolecularWeight: 450.57308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCCC(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCCC(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H22N2O3S2/c27-23(15-8-16-31(28,29)17-18-9-2-1-3-10-18)25-20-12-5-4-11-19(20)24-26-21-13-6-7-14-22(21)30-24/h1-7,9-14H,8,15-17H2,(H,25,27)