6-chloranyl-1-[4-[2-methoxy-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]piperazin-1-yl]hexan-1-one

Systemtic Name: 6-chloranyl-1-[4-[2-methoxy-5-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-phenyl]piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-[5-[(4-benzyl-1-piperidyl)sulfonyl]-2-methoxy-phenyl]piperazin-1-yl]-6-chloro-hexan-1-one CAS Name: 6-chloro-1-[4-[2-methoxy-5-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-[5-(4-benzylpiperidin-1-yl)sulfonyl-2-methoxyphenyl]piperazin-1-yl]-6-chlorohexan-1-one Traditional Name: 1-[4-[5-(4-benzylpiperidino)sulfonyl-2-methoxy-phenyl]piperazino]-6-chloro-hexan-1-one Formula: C29H40ClN3O4S MolecularWeight: 562.1636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)N4CCN(CC4)C(=O)CCCCCCl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)N4CCN(CC4)C(=O)CCCCCCl

InChI

InChI=1S/C29H40ClN3O4S/c1-37-28-12-11-26(23-27(28)31-18-20-32(21-19-31)29(34)10-6-3-7-15-30)38(35,36)33-16-13-25(14-17-33)22-24-8-4-2-5-9-24/h2,4-5,8-9,11-12,23,25H,3,6-7,10,13-22H2,1H3