N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-methyl-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-methyl-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-methyl-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-4-methyl-3-piperidinosulfonyl-benzamide Formula: C27H30N2O3S2 MolecularWeight: 494.6687

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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)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

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

InChI

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