(phenylmethyl) 4-(4-naphthalen-1-ylsulfonyl-1,3-benzoxazol-2-yl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(4-naphthalen-1-ylsulfonyl-1,3-benzoxazol-2-yl)piperazine-1-carboxylate Openeye Name: benzyl 4-[4-(1-naphthylsulfonyl)-1,3-benzoxazol-2-yl]piperazine-1-carboxylate CAS Name: 4-[4-(1-naphthalenylsulfonyl)-1,3-benzoxazol-2-yl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-naphthalen-1-ylsulfonyl-1,3-benzoxazol-2-yl)piperazine-1-carboxylate Traditional Name: 4-[4-(1-naphthylsulfonyl)-1,3-benzoxazol-2-yl]piperazine-1-carboxylic acid benzyl ester Formula: C29H25N3O5S MolecularWeight: 527.5909

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(O2)C=CC=C3S(=O)(=O)C4=CC=CC5=CC=CC=C54)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C2=NC3=C(O2)C=CC=C3S(=O)(=O)C4=CC=CC5=CC=CC=C54)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C29H25N3O5S/c33-29(36-20-21-8-2-1-3-9-21)32-18-16-31(17-19-32)28-30-27-24(37-28)13-7-15-26(27)38(34,35)25-14-6-11-22-10-4-5-12-23(22)25/h1-15H,16-20H2