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

Systemtic Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-methyl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-methyl-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-2-methyl-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-2-methyl-5-piperidinosulfonyl-benzamide Formula: C27H30N2O3S2 MolecularWeight: 494.6687

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O3S2/c1-19-7-14-26(21(3)17-19)33-23-11-9-22(10-12-23)28-27(30)25-18-24(13-8-20(25)2)34(31,32)29-15-5-4-6-16-29/h7-14,17-18H,4-6,15-16H2,1-3H3,(H,28,30)