2-[[4-(3-methylsulfonylpropylcarbamoyl)phenyl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[4-(3-methylsulfonylpropylcarbamoyl)phenyl]carbonylamino]butanedioic acid Openeye Name: 2-[[4-(3-methylsulfonylpropylcarbamoyl)benzoyl]amino]butanedioic acid CAS Name: 2-[[[4-[(3-methylsulfonylpropylamino)-oxomethyl]phenyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[4-(3-methylsulfonylpropylcarbamoyl)benzoyl]amino]butanedioic acid Traditional Name: 2-[[4-(3-mesylpropylcarbamoyl)benzoyl]amino]succinic acid Formula: C16H20N2O8S MolecularWeight: 400.4036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCNC(=O)C1=CC=C(C=C1)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)CCCNC(=O)C1=CC=C(C=C1)C(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C16H20N2O8S/c1-27(25,26)8-2-7-17-14(21)10-3-5-11(6-4-10)15(22)18-12(16(23)24)9-13(19)20/h3-6,12H,2,7-9H2,1H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)