(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-[(1-phenyl-3-pyrrolidinyl)methyl]butanamide IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]butyramide Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1CCN(C1)C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1CCN(C1)C2=CC=CC=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H31N3O5S/c1-17(2)23(26-33(29,30)20-8-9-21-22(14-20)32-13-12-31-21)24(28)25-15-18-10-11-27(16-18)19-6-4-3-5-7-19/h3-9,14,17-18,23,26H,10-13,15-16H2,1-2H3,(H,25,28)/t18?,23-/m0/s1