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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-benzylsulfonyl-butanamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-benzylsulfonylbutanamide Traditional Name: N-[3-(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(=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCCC(=O)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3

InChI

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