ethyl 4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxylate CAS Name: 4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyl-1-(2-methoxyethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxylate Traditional Name: 4-[4-[3-(3-bromophenyl)propoxy]phenyl]sulfonyl-1-(2-methoxyethyl)isonipecotic acid ethyl ester Formula: C26H34BrNO6S MolecularWeight: 568.52026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCOC)S(=O)(=O)C2=CC=C(C=C2)OCCCC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCOC)S(=O)(=O)C2=CC=C(C=C2)OCCCC3=CC(=CC=C3)Br

InChI

InChI=1S/C26H34BrNO6S/c1-3-33-25(29)26(13-15-28(16-14-26)17-19-32-2)35(30,31)24-11-9-23(10-12-24)34-18-5-7-21-6-4-8-22(27)20-21/h4,6,8-12,20H,3,5,7,13-19H2,1-2H3