N-[3-(1,3-benzothiazol-2-yl)propyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H25N3O3S2/c1-17-9-10-18(2)23(16-17)33(30,31)28-20-13-11-19(12-14-20)25(29)26-15-5-8-24-27-21-6-3-4-7-22(21)32-24/h3-4,6-7,9-14,16,28H,5,8,15H2,1-2H3,(H,26,29)