4-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]butane-1-sulfonic acid

Systemtic Name: 4-[[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]butane-1-sulfonic acid Openeye Name: 4-[[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-methyl-amino]butane-1-sulfonic acid CAS Name: 4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-1-butanesulfonic acid IUPAC Name: 4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]butane-1-sulfonic acid Traditional Name: 4-[[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-methyl-amino]butane-1-sulfonic acid Formula: C14H21BrN2O4S MolecularWeight: 393.29654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)CCCCS(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CN(C)CCCCS(=O)(=O)O

InChI

InChI=1S/C14H21BrN2O4S/c1-11-9-12(15)5-6-13(11)16-14(18)10-17(2)7-3-4-8-22(19,20)21/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,18)(H,19,20,21)