(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-[(5-sulfamoyl-2-thienyl)methyl]butanamide CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-[(5-sulfamoyl-2-thiophenyl)methyl]butanamide IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-N-[(5-sulfamoyl-2-thienyl)methyl]butyramide Formula: C18H23N3O7S3 MolecularWeight: 489.58612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(S1)S(=O)(=O)N)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=C(S1)S(=O)(=O)N)NS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H23N3O7S3/c1-11(2)17(18(22)20-10-12-3-6-16(29-12)30(19,23)24)21-31(25,26)13-4-5-14-15(9-13)28-8-7-27-14/h3-6,9,11,17,21H,7-8,10H2,1-2H3,(H,20,22)(H2,19,23,24)/t17-/m0/s1