4-(1-adamantyl)-3-(1-methoxyethoxymethoxysulfanyl)benzamide

Systemtic Name: 4-(1-adamantyl)-3-(1-methoxyethoxymethoxysulfanyl)benzamide Openeye Name: 4-(1-adamantyl)-3-(1-methoxyethoxymethoxysulfanyl)benzamide CAS Name: 2-(1-adamantyl)-5-carbamoylbenzenesulfenic acid 1-methoxyethoxymethyl ester IUPAC Name: 4-(1-adamantyl)-3-(1-methoxyethoxymethoxysulfanyl)benzamide Traditional Name: 4-(1-adamantyl)-3-(1-methoxyethoxymethoxythio)benzamide Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OCOSC1=C(C=CC(=C1)C(=O)N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(OC)OCOSC1=C(C=CC(=C1)C(=O)N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29NO4S/c1-13(24-2)25-12-26-27-19-8-17(20(22)23)3-4-18(19)21-9-14-5-15(10-21)7-16(6-14)11-21/h3-4,8,13-16H,5-7,9-12H2,1-2H3,(H2,22,23)