phenyl N-cyano-N'-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-yl-piperidin-4-yl]methyl]carbamimidate

Systemtic Name: phenyl N-cyano-N'-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-yl-piperidin-4-yl]methyl]carbamimidate Openeye Name: 1-cyano-3-[[1-(4-fluorophenyl)sulfonyl-4-(2-thienyl)-4-piperidyl]methyl]-2-phenyl-isourea CAS Name: N-cyano-N'-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-yl-4-piperidinyl]methyl]carbamimidic acid phenyl ester IUPAC Name: phenyl N-cyano-N'-[[1-(4-fluorophenyl)sulfonyl-4-thiophen-2-ylpiperidin-4-yl]methyl]carbamimidate Traditional Name: 1-cyano-3-[[1-(4-fluorophenyl)sulfonyl-4-(2-thienyl)-4-piperidyl]methyl]-2-phenyl-isourea Formula: C24H23FN4O3S2 MolecularWeight: 498.592823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CN=C(NC#N)OC2=CC=CC=C2)C3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1(CN=C(NC#N)OC2=CC=CC=C2)C3=CC=CS3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H23FN4O3S2/c25-19-8-10-21(11-9-19)34(30,31)29-14-12-24(13-15-29,22-7-4-16-33-22)17-27-23(28-18-26)32-20-5-2-1-3-6-20/h1-11,16H,12-15,17H2,(H,27,28)