3-(3,4-dimethylphenyl)sulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[[4-(1-piperidylsulfonyl)phenyl]methyl]propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-[[4-(1-piperidinylsulfonyl)phenyl]methyl]propanamide IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-(4-piperidinosulfonylbenzyl)propionamide Formula: C23H30N2O3S2 MolecularWeight: 446.6259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C23H30N2O3S2/c1-18-6-9-21(16-19(18)2)29-15-12-23(26)24-17-20-7-10-22(11-8-20)30(27,28)25-13-4-3-5-14-25/h6-11,16H,3-5,12-15,17H2,1-2H3,(H,24,26)