N-(1-adamantyl)-N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

Systemtic Name: N-(1-adamantyl)-N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Openeye Name: N-(1-adamantyl)-N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide CAS Name: N-(1-adamantyl)-N-ethyl-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propanamide IUPAC Name: N-(1-adamantyl)-N-ethyl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide Traditional Name: N-(1-adamantyl)-N-ethyl-3-(4-pyrrolidinosulfonylphenyl)propionamide Formula: C25H36N2O3S MolecularWeight: 444.62994

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN(C(=O)CCC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H36N2O3S/c1-2-27(25-16-20-13-21(17-25)15-22(14-20)18-25)24(28)10-7-19-5-8-23(9-6-19)31(29,30)26-11-3-4-12-26/h5-6,8-9,20-22H,2-4,7,10-18H2,1H3