2-[2-carboxyethyl-[[ethyl(hexylsulfonyl)amino]methyl]amino]butanedioic acid

Systemtic Name: 2-[2-carboxyethyl-[[ethyl(hexylsulfonyl)amino]methyl]amino]butanedioic acid Openeye Name: 2-[2-carboxyethyl-[[ethyl(hexylsulfonyl)amino]methyl]amino]butanedioic acid CAS Name: 2-[2-carboxyethyl-[[ethyl(hexylsulfonyl)amino]methyl]amino]butanedioic acid IUPAC Name: 2-[2-carboxyethyl-[[ethyl(hexylsulfonyl)amino]methyl]amino]butanedioic acid Traditional Name: 2-[2-carboxyethyl-[[ethyl(hexylsulfonyl)amino]methyl]amino]succinic acid Formula: C16H30N2O8S MolecularWeight: 410.483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)N(CC)CN(CCC(=O)O)C(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCS(=O)(=O)N(CC)CN(CCC(=O)O)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C16H30N2O8S/c1-3-5-6-7-10-27(25,26)18(4-2)12-17(9-8-14(19)20)13(16(23)24)11-15(21)22/h13H,3-12H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)