1-[bis(2-oxidanylpropyl)amino]propan-2-ol; 2-methyl-4-(prop-2-enoylamino)butane-1-sulfonic acid

Systemtic Name: 1-[bis(2-oxidanylpropyl)amino]propan-2-ol; 2-methyl-4-(prop-2-enoylamino)butane-1-sulfonic acid Openeye Name: 1-[bis(2-hydroxypropyl)amino]propan-2-ol; 2-methyl-4-(prop-2-enoylamino)butane-1-sulfonic acid CAS Name: 1-[bis(2-hydroxypropyl)amino]-2-propanol; 2-methyl-4-(1-oxoprop-2-enylamino)-1-butanesulfonic acid IUPAC Name: 1-[bis(2-hydroxypropyl)amino]propan-2-ol; 2-methyl-4-(prop-2-enoylamino)butane-1-sulfonic acid Traditional Name: 4-acrylamido-2-methyl-butane-1-sulfonic acid; 1-[bis(2-hydroxypropyl)amino]propan-2-ol Formula: C17H36N2O7S MolecularWeight: 412.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC(=O)C=C)CS(=O)(=O)O.CC(CN(CC(C)O)CC(C)O)O

Isomeric SMILES

CC(CCNC(=O)C=C)CS(=O)(=O)O.CC(CN(CC(C)O)CC(C)O)O

InChI

InChI=1S/C9H21NO3.C8H15NO4S/c1-7(11)4-10(5-8(2)12)6-9(3)13;1-3-8(10)9-5-4-7(2)6-14(11,12)13/h7-9,11-13H,4-6H2,1-3H3;3,7H,1,4-6H2,2H3,(H,9,10)(H,11,12,13)