1-azanyl-4-[4-(hexadecylamino)phenyl]-3-oxidanylidene-butane-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[4-(hexadecylamino)phenyl]-3-oxidanylidene-butane-2-sulfonic acid Openeye Name: 1-amino-4-[4-(hexadecylamino)phenyl]-3-oxo-butane-2-sulfonic acid CAS Name: 1-amino-4-[4-(hexadecylamino)phenyl]-3-oxo-2-butanesulfonic acid IUPAC Name: 1-amino-4-[4-(hexadecylamino)phenyl]-3-oxobutane-2-sulfonic acid Traditional Name: 1-amino-4-[4-(cetylamino)phenyl]-3-keto-butane-2-sulfonic acid Formula: C26H46N2O4S MolecularWeight: 482.71944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)CC(=O)C(CN)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)CC(=O)C(CN)S(=O)(=O)O

InChI

InChI=1S/C26H46N2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-24-18-16-23(17-19-24)21-25(29)26(22-27)33(30,31)32/h16-19,26,28H,2-15,20-22,27H2,1H3,(H,30,31,32)