N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-(1-piperidylsulfonyl)benzamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-piperidinosulfonyl-benzamide Formula: C26H28N2O3S2 MolecularWeight: 480.64212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C26H28N2O3S2/c1-19-6-7-20(2)25(18-19)32-23-12-10-22(11-13-23)27-26(29)21-8-14-24(15-9-21)33(30,31)28-16-4-3-5-17-28/h6-15,18H,3-5,16-17H2,1-2H3,(H,27,29)