1-phosphono-4-[4-(4-piperidin-1-ylphenyl)phenyl]butane-1-sulfonic acid

Systemtic Name: 1-phosphono-4-[4-(4-piperidin-1-ylphenyl)phenyl]butane-1-sulfonic acid Openeye Name: 1-phosphono-4-[4-[4-(1-piperidyl)phenyl]phenyl]butane-1-sulfonic acid CAS Name: 1-phosphono-4-[4-[4-(1-piperidinyl)phenyl]phenyl]-1-butanesulfonic acid IUPAC Name: 1-phosphono-4-[4-(4-piperidin-1-ylphenyl)phenyl]butane-1-sulfonic acid Traditional Name: 1-phosphono-4-[4-(4-piperidinophenyl)phenyl]butane-1-sulfonic acid Formula: C21H28NO6PS MolecularWeight: 453.488881

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCC(P(=O)(O)O)S(=O)(=O)O

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)CCCC(P(=O)(O)O)S(=O)(=O)O

InChI

InChI=1S/C21H28NO6PS/c23-29(24,25)21(30(26,27)28)6-4-5-17-7-9-18(10-8-17)19-11-13-20(14-12-19)22-15-2-1-3-16-22/h7-14,21H,1-6,15-16H2,(H2,23,24,25)(H,26,27,28)