3-methyl-4-[4-(prop-2-enoylamino)butoxy]benzenesulfonic acid

Systemtic Name: 3-methyl-4-[4-(prop-2-enoylamino)butoxy]benzenesulfonic acid Openeye Name: 3-methyl-4-[4-(prop-2-enoylamino)butoxy]benzenesulfonic acid CAS Name: 3-methyl-4-[4-(1-oxoprop-2-enylamino)butoxy]benzenesulfonic acid IUPAC Name: 3-methyl-4-[4-(prop-2-enoylamino)butoxy]benzenesulfonic acid Traditional Name: 4-(4-acrylamidobutoxy)-3-methyl-besylic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)O)OCCCCNC(=O)C=C

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)O)OCCCCNC(=O)C=C

InChI

InChI=1S/C14H19NO5S/c1-3-14(16)15-8-4-5-9-20-13-7-6-12(10-11(13)2)21(17,18)19/h3,6-7,10H,1,4-5,8-9H2,2H3,(H,15,16)(H,17,18,19)