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

Systemtic Name: 1-cyano-2-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-yl-piperidin-4-yl]methyl]-3-(oxolan-2-ylmethyl)guanidine Openeye Name: 1-cyano-2-[[1-(4-fluorophenyl)sulfonyl-4-(2-thienyl)-4-piperidyl]methyl]-3-(tetrahydrofuran-2-ylmethyl)guanidine CAS Name: 1-cyano-2-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-yl-4-piperidinyl]methyl]-3-(2-oxolanylmethyl)guanidine IUPAC Name: 1-cyano-2-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]-3-(oxolan-2-ylmethyl)guanidine Traditional Name: 1-cyano-2-[[1-(4-fluorophenyl)sulfonyl-4-(2-thienyl)-4-piperidyl]methyl]-3-(tetrahydrofurfuryl)guanidine Formula: C23H28FN5O3S2 MolecularWeight: 505.628523

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=NCC2(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CS4)NC#N

Isomeric SMILES

C1CC(OC1)CNC(=NCC2(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CS4)NC#N

InChI

InChI=1S/C23H28FN5O3S2/c24-18-5-7-20(8-6-18)34(30,31)29-11-9-23(10-12-29,21-4-2-14-33-21)16-27-22(28-17-25)26-15-19-3-1-13-32-19/h2,4-8,14,19H,1,3,9-13,15-16H2,(H2,26,27,28)