2-methyl-N-[4-(2-methylazecan-1-yl)-3-oxidanyl-1-phenylsulfanyl-butan-2-yl]-3-oxidanyl-benzamide

Systemtic Name: 2-methyl-N-[4-(2-methylazecan-1-yl)-3-oxidanyl-1-phenylsulfanyl-butan-2-yl]-3-oxidanyl-benzamide Openeye Name: 3-hydroxy-N-[2-hydroxy-3-(2-methylazecan-1-yl)-1-(phenylsulfanylmethyl)propyl]-2-methyl-benzamide CAS Name: 3-hydroxy-N-[3-hydroxy-4-(2-methyl-1-azecanyl)-1-(phenylthio)butan-2-yl]-2-methylbenzamide IUPAC Name: 3-hydroxy-N-[3-hydroxy-4-(2-methylazecan-1-yl)-1-phenylsulfanylbutan-2-yl]-2-methylbenzamide Traditional Name: 3-hydroxy-N-[2-hydroxy-3-(2-methylazecan-1-yl)-1-[(phenylthio)methyl]propyl]-2-methyl-benzamide Formula: C28H40N2O3S MolecularWeight: 484.6938

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCCCCCN1CC(C(CSC2=CC=CC=C2)NC(=O)C3=C(C(=CC=C3)O)C)O

Isomeric SMILES

CC1CCCCCCCCN1CC(C(CSC2=CC=CC=C2)NC(=O)C3=C(C(=CC=C3)O)C)O

InChI

InChI=1S/C28H40N2O3S/c1-21-13-8-5-3-4-6-11-18-30(21)19-27(32)25(20-34-23-14-9-7-10-15-23)29-28(33)24-16-12-17-26(31)22(24)2/h7,9-10,12,14-17,21,25,27,31-32H,3-6,8,11,13,18-20H2,1-2H3,(H,29,33)