(2S)-N-(1-adamantylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanamide

Systemtic Name: (2S)-N-(1-adamantylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanamide Openeye Name: (2S)-N-(1-adamantylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanamide CAS Name: (2S)-N-(1-adamantylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanamide IUPAC Name: (2S)-N-(1-adamantylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanamide Traditional Name: (2S)-N-(1-adamantylmethyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butyramide Formula: C24H34N2O5S MolecularWeight: 462.60216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H34N2O5S/c1-15(2)22(26-32(28,29)19-3-4-20-21(10-19)31-6-5-30-20)23(27)25-14-24-11-16-7-17(12-24)9-18(8-16)13-24/h3-4,10,15-18,22,26H,5-9,11-14H2,1-2H3,(H,25,27)/t16?,17?,18?,22-,24?/m0/s1