ethyl 5-[4-[2-methoxy-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]piperazin-1-yl]-5-oxidanylidene-pentanoate

Systemtic Name: ethyl 5-[4-[2-methoxy-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]piperazin-1-yl]-5-oxidanylidene-pentanoate Openeye Name: ethyl 5-[4-[5-[(4-benzyl-1-piperidyl)sulfonyl]-2-methoxy-phenyl]piperazin-1-yl]-5-oxo-pentanoate CAS Name: 5-[4-[2-methoxy-5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]-1-piperazinyl]-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]piperazin-1-yl]-5-oxopentanoate Traditional Name: 5-[4-[5-(4-benzylpiperidino)sulfonyl-2-methoxy-phenyl]piperazino]-5-keto-valeric acid ethyl ester Formula: C30H41N3O6S MolecularWeight: 571.72804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC(=O)N1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

CCOC(=O)CCCC(=O)N1CCN(CC1)C2=C(C=CC(=C2)S(=O)(=O)N3CCC(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C30H41N3O6S/c1-3-39-30(35)11-7-10-29(34)32-20-18-31(19-21-32)27-23-26(12-13-28(27)38-2)40(36,37)33-16-14-25(15-17-33)22-24-8-5-4-6-9-24/h4-6,8-9,12-13,23,25H,3,7,10-11,14-22H2,1-2H3