1-cyano-3-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-yl-piperidin-4-yl]methyl]-2-[(2-methoxyphenyl)methyl]guanidine

Systemtic Name: 1-cyano-3-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-yl-piperidin-4-yl]methyl]-2-[(2-methoxyphenyl)methyl]guanidine Openeye Name: 1-cyano-3-[[1-(4-fluorophenyl)sulfonyl-4-(2-thienyl)-4-piperidyl]methyl]-2-[(2-methoxyphenyl)methyl]guanidine CAS Name: 1-cyano-3-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-yl-4-piperidinyl]methyl]-2-[(2-methoxyphenyl)methyl]guanidine IUPAC Name: 1-cyano-3-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]-2-[(2-methoxyphenyl)methyl]guanidine Traditional Name: 1-cyano-3-[[1-(4-fluorophenyl)sulfonyl-4-(2-thienyl)-4-piperidyl]methyl]-2-o-anisyl-guanidine Formula: C26H28FN5O3S2 MolecularWeight: 541.660623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN=C(NCC2(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CS4)NC#N

Isomeric SMILES

COC1=CC=CC=C1CN=C(NCC2(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CS4)NC#N

InChI

InChI=1S/C26H28FN5O3S2/c1-35-23-6-3-2-5-20(23)17-29-25(31-19-28)30-18-26(24-7-4-16-36-24)12-14-32(15-13-26)37(33,34)22-10-8-21(27)9-11-22/h2-11,16H,12-15,17-18H2,1H3,(H2,29,30,31)