N-[2-chloranyl-1-[6-methylsulfanyl-3,4-bis(oxidanyl)oxan-2-yl]propyl]-5-propyl-azepane-2-carboxamide

Systemtic Name: N-[2-chloranyl-1-[6-methylsulfanyl-3,4-bis(oxidanyl)oxan-2-yl]propyl]-5-propyl-azepane-2-carboxamide Openeye Name: N-[2-chloro-1-(3,4-dihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl)propyl]-5-propyl-azepane-2-carboxamide CAS Name: N-[2-chloro-1-[3,4-dihydroxy-6-(methylthio)-2-oxanyl]propyl]-5-propyl-2-azepanecarboxamide IUPAC Name: N-[2-chloro-1-(3,4-dihydroxy-6-methylsulfanyloxan-2-yl)propyl]-5-propylazepane-2-carboxamide Traditional Name: N-[2-chloro-1-[3,4-dihydroxy-6-(methylthio)tetrahydropyran-2-yl]propyl]-5-propyl-azepane-2-carboxamide Formula: C19H35ClN2O4S MolecularWeight: 423.0102

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(NCC1)C(=O)NC(C2C(C(CC(O2)SC)O)O)C(C)Cl

Isomeric SMILES

CCCC1CCC(NCC1)C(=O)NC(C2C(C(CC(O2)SC)O)O)C(C)Cl

InChI

InChI=1S/C19H35ClN2O4S/c1-4-5-12-6-7-13(21-9-8-12)19(25)22-16(11(2)20)18-17(24)14(23)10-15(26-18)27-3/h11-18,21,23-24H,4-10H2,1-3H3,(H,22,25)