3-azanyl-4-(nonadecan-2-ylamino)benzenesulfonic acid

Systemtic Name: 3-azanyl-4-(nonadecan-2-ylamino)benzenesulfonic acid Openeye Name: 3-amino-4-(1-methyloctadecylamino)benzenesulfonic acid CAS Name: 3-amino-4-(nonadecan-2-ylamino)benzenesulfonic acid IUPAC Name: 3-amino-4-(nonadecan-2-ylamino)benzenesulfonic acid Traditional Name: 3-amino-4-(1-methyloctadecylamino)besylic acid Formula: C25H46N2O3S MolecularWeight: 454.70934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C)NC1=C(C=C(C=C1)S(=O)(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C)NC1=C(C=C(C=C1)S(=O)(=O)O)N

InChI

InChI=1S/C25H46N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(2)27-25-20-19-23(21-24(25)26)31(28,29)30/h19-22,27H,3-18,26H2,1-2H3,(H,28,29,30)