2-[(E)-[3-(naphthalen-1-ylmethyl)-5-piperidin-4-yl-1,3-thiazol-2-ylidene]amino]sulfonylbenzoic acid

Systemtic Name: 2-[(E)-[3-(naphthalen-1-ylmethyl)-5-piperidin-4-yl-1,3-thiazol-2-ylidene]amino]sulfonylbenzoic acid Openeye Name: 2-[(E)-[3-(1-naphthylmethyl)-5-(4-piperidyl)thiazol-2-ylidene]amino]sulfonylbenzoic acid CAS Name: 2-[(E)-[3-(1-naphthalenylmethyl)-5-(4-piperidinyl)-2-thiazolylidene]amino]sulfonylbenzoic acid IUPAC Name: 2-[(E)-[3-(naphthalen-1-ylmethyl)-5-piperidin-4-yl-1,3-thiazol-2-ylidene]amino]sulfonylbenzoic acid Traditional Name: 2-[(E)-[3-(1-naphthylmethyl)-5-(4-piperidyl)-4-thiazolin-2-ylidene]amino]sulfonylbenzoic acid Formula: C26H25N3O4S2 MolecularWeight: 507.6244

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=CN(C(=NS(=O)(=O)C3=CC=CC=C3C(=O)O)S2)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CNCCC1C2=CN(/C(=N\S(=O)(=O)C3=CC=CC=C3C(=O)O)/S2)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H25N3O4S2/c30-25(31)22-10-3-4-11-24(22)35(32,33)28-26-29(17-23(34-26)19-12-14-27-15-13-19)16-20-8-5-7-18-6-1-2-9-21(18)20/h1-11,17,19,27H,12-16H2,(H,30,31)/b28-26+