N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide Traditional Name: 4-benzylsulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butyramide Formula: C25H24N2O3S2 MolecularWeight: 464.59966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCCS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCCS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O3S2/c1-18-9-14-22-23(16-18)31-25(27-22)20-10-12-21(13-11-20)26-24(28)8-5-15-32(29,30)17-19-6-3-2-4-7-19/h2-4,6-7,9-14,16H,5,8,15,17H2,1H3,(H,26,28)