4-azanyl-5-chloranyl-2-methoxy-N-[[1-[5-(phenylmethylsulfanyl)pentyl]piperidin-4-yl]methyl]benzamide

Systemtic Name: 4-azanyl-5-chloranyl-2-methoxy-N-[[1-[5-(phenylmethylsulfanyl)pentyl]piperidin-4-yl]methyl]benzamide Openeye Name: 4-amino-N-[[1-(5-benzylsulfanylpentyl)-4-piperidyl]methyl]-5-chloro-2-methoxy-benzamide CAS Name: 4-amino-5-chloro-2-methoxy-N-[[1-[5-(phenylmethylthio)pentyl]-4-piperidinyl]methyl]benzamide IUPAC Name: 4-amino-N-[[1-(5-benzylsulfanylpentyl)piperidin-4-yl]methyl]-5-chloro-2-methoxybenzamide Traditional Name: 4-amino-N-[[1-[5-(benzylthio)pentyl]-4-piperidyl]methyl]-5-chloro-2-methoxy-benzamide Formula: C26H36ClN3O2S MolecularWeight: 490.10094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)NCC2CCN(CC2)CCCCCSCC3=CC=CC=C3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)NCC2CCN(CC2)CCCCCSCC3=CC=CC=C3)Cl)N

InChI

InChI=1S/C26H36ClN3O2S/c1-32-25-17-24(28)23(27)16-22(25)26(31)29-18-20-10-13-30(14-11-20)12-6-3-7-15-33-19-21-8-4-2-5-9-21/h2,4-5,8-9,16-17,20H,3,6-7,10-15,18-19,28H2,1H3,(H,29,31)