4-[(3-methylphenyl)-(4-sulfonatobutyl)amino]butane-1-sulfonate

Systemtic Name: 4-[(3-methylphenyl)-(4-sulfonatobutyl)amino]butane-1-sulfonate Openeye Name: 4-[3-methyl-N-(4-sulfonatobutyl)anilino]butane-1-sulfonate CAS Name: 4-[3-methyl-N-(4-sulfonatobutyl)anilino]-1-butanesulfonate IUPAC Name: 4-[3-methyl-N-(4-sulfonatobutyl)anilino]butane-1-sulfonate Traditional Name: 4-[3-methyl-N-(4-sulfonatobutyl)anilino]butane-1-sulfonate Formula: C15H23NO6S2-2 MolecularWeight: 377.47622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(CCCCS(=O)(=O)[O-])CCCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N(CCCCS(=O)(=O)[O-])CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C15H25NO6S2/c1-14-7-6-8-15(13-14)16(9-2-4-11-23(17,18)19)10-3-5-12-24(20,21)22/h6-8,13H,2-5,9-12H2,1H3,(H,17,18,19)(H,20,21,22)/p-2