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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)N2CCCC2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)N2CCCC2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H31N3O5S/c1-17(2)23(26-33(29,30)20-9-10-21-22(15-20)32-14-13-31-21)24(28)25-16-18-5-7-19(8-6-18)27-11-3-4-12-27/h5-10,15,17,23,26H,3-4,11-14,16H2,1-2H3,(H,25,28)/t23-/m0/s1