N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]-3-piperidinosulfonyl-benzamide Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)[C@H](C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H28N2O4S/c1-16-10-11-21(28-3)20(14-16)17(2)23-22(25)18-8-7-9-19(15-18)29(26,27)24-12-5-4-6-13-24/h7-11,14-15,17H,4-6,12-13H2,1-3H3,(H,23,25)/t17-/m0/s1