1-oxidanyl-4-piperazin-1-yl-3-(2H-1,3,5-triazin-1-yl)naphthalene-2-sulfonic acid

Systemtic Name: 1-oxidanyl-4-piperazin-1-yl-3-(2H-1,3,5-triazin-1-yl)naphthalene-2-sulfonic acid Openeye Name: 1-hydroxy-4-piperazin-1-yl-3-(2H-1,3,5-triazin-1-yl)naphthalene-2-sulfonic acid CAS Name: 1-hydroxy-4-(1-piperazinyl)-3-(2H-1,3,5-triazin-1-yl)-2-naphthalenesulfonic acid IUPAC Name: 1-hydroxy-4-piperazin-1-yl-3-(2H-1,3,5-triazin-1-yl)naphthalene-2-sulfonic acid Traditional Name: 1-hydroxy-4-piperazino-3-(2H-s-triazin-1-yl)naphthalene-2-sulfonic acid Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C(=C(C3=CC=CC=C32)O)S(=O)(=O)O)N4CN=CN=C4

Isomeric SMILES

C1CN(CCN1)C2=C(C(=C(C3=CC=CC=C32)O)S(=O)(=O)O)N4CN=CN=C4

InChI

InChI=1S/C17H19N5O4S/c23-16-13-4-2-1-3-12(13)14(21-7-5-18-6-8-21)15(17(16)27(24,25)26)22-10-19-9-20-11-22/h1-4,9-10,18,23H,5-8,11H2,(H,24,25,26)