4-methylsulfanyl-N-[(1R)-1-phenylethyl]-3-piperidin-1-ylcarbonyl-benzenesulfonamide

Systemtic Name: 4-methylsulfanyl-N-[(1R)-1-phenylethyl]-3-piperidin-1-ylcarbonyl-benzenesulfonamide Openeye Name: 4-methylsulfanyl-N-[(1R)-1-phenylethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide CAS Name: 4-(methylthio)-3-[oxo(1-piperidinyl)methyl]-N-[(1R)-1-phenylethyl]benzenesulfonamide IUPAC Name: 4-methylsulfanyl-N-[(1R)-1-phenylethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide Traditional Name: 4-(methylthio)-N-[(1R)-1-phenylethyl]-3-(piperidine-1-carbonyl)benzenesulfonamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)SC)C(=O)N3CCCCC3

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)SC)C(=O)N3CCCCC3

InChI

InChI=1S/C21H26N2O3S2/c1-16(17-9-5-3-6-10-17)22-28(25,26)18-11-12-20(27-2)19(15-18)21(24)23-13-7-4-8-14-23/h3,5-6,9-12,15-16,22H,4,7-8,13-14H2,1-2H3/t16-/m1/s1