2-(3-azanyl-2-oxidanyl-propoxy)-3-ethyl-4-(3-propylsulfonylpropyl)benzenecarbonitrile

Systemtic Name: 2-(3-azanyl-2-oxidanyl-propoxy)-3-ethyl-4-(3-propylsulfonylpropyl)benzenecarbonitrile Openeye Name: 2-(3-amino-2-hydroxy-propoxy)-3-ethyl-4-(3-propylsulfonylpropyl)benzonitrile CAS Name: 2-(3-amino-2-hydroxypropoxy)-3-ethyl-4-(3-propylsulfonylpropyl)benzonitrile IUPAC Name: 2-(3-amino-2-hydroxypropoxy)-3-ethyl-4-(3-propylsulfonylpropyl)benzonitrile Traditional Name: 2-(3-amino-2-hydroxy-propoxy)-3-ethyl-4-(3-propylsulfonylpropyl)benzonitrile Formula: C18H28N2O4S MolecularWeight: 368.49092

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)CCCC1=C(C(=C(C=C1)C#N)OCC(CN)O)CC

Isomeric SMILES

CCCS(=O)(=O)CCCC1=C(C(=C(C=C1)C#N)OCC(CN)O)CC

InChI

InChI=1S/C18H28N2O4S/c1-3-9-25(22,23)10-5-6-14-7-8-15(11-19)18(17(14)4-2)24-13-16(21)12-20/h7-8,16,21H,3-6,9-10,12-13,20H2,1-2H3