4-phenylbutyl 1-quinolin-8-ylsulfonylpiperidine-2-carboxylate

Systemtic Name: 4-phenylbutyl 1-quinolin-8-ylsulfonylpiperidine-2-carboxylate Openeye Name: 4-phenylbutyl 1-(8-quinolylsulfonyl)piperidine-2-carboxylate CAS Name: 1-(8-quinolinylsulfonyl)-2-piperidinecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 1-quinolin-8-ylsulfonylpiperidine-2-carboxylate Traditional Name: 1-(8-quinolylsulfonyl)pipecolinic acid 4-phenylbutyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CCN(C(C1)C(=O)OCCCCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C25H28N2O4S/c28-25(31-19-7-5-12-20-10-2-1-3-11-20)22-15-4-6-18-27(22)32(29,30)23-16-8-13-21-14-9-17-26-24(21)23/h1-3,8-11,13-14,16-17,22H,4-7,12,15,18-19H2