N-[6-oxidanylidene-6-[(3S,4S)-3-[(4-phenoxyphenyl)sulfonylamino]-4-sulfanyl-pyrrolidin-1-yl]hexyl]ethanamide

Systemtic Name: N-[6-oxidanylidene-6-[(3S,4S)-3-[(4-phenoxyphenyl)sulfonylamino]-4-sulfanyl-pyrrolidin-1-yl]hexyl]ethanamide Openeye Name: N-[6-oxo-6-[(3S,4S)-3-[(4-phenoxyphenyl)sulfonylamino]-4-sulfanyl-pyrrolidin-1-yl]hexyl]acetamide CAS Name: N-[6-[(3S,4S)-3-mercapto-4-[(4-phenoxyphenyl)sulfonylamino]-1-pyrrolidinyl]-6-oxohexyl]acetamide IUPAC Name: N-[6-oxo-6-[(3S,4S)-3-[(4-phenoxyphenyl)sulfonylamino]-4-sulfanylpyrrolidin-1-yl]hexyl]acetamide Traditional Name: N-[6-keto-6-[(3S,4S)-3-mercapto-4-[(4-phenoxyphenyl)sulfonylamino]pyrrolidino]hexyl]acetamide Formula: C24H31N3O5S2 MolecularWeight: 505.65004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCCCC(=O)N1CC(C(C1)S)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCCCCC(=O)N1C[C@@H]([C@H](C1)S)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O5S2/c1-18(28)25-15-7-3-6-10-24(29)27-16-22(23(33)17-27)26-34(30,31)21-13-11-20(12-14-21)32-19-8-4-2-5-9-19/h2,4-5,8-9,11-14,22-23,26,33H,3,6-7,10,15-17H2,1H3,(H,25,28)/t22-,23-/m0/s1