(phenylmethyl) 2-[(4-azanylcyclohexyl)carbamoyl]-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[(4-azanylcyclohexyl)carbamoyl]-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-1-carboxylate Openeye Name: benzyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-1-carboxylate CAS Name: 2-[[(4-aminocyclohexyl)amino]-oxomethyl]-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-1-carboxylate Traditional Name: 2-[(4-aminocyclohexyl)carbamoyl]-3-(4-fluorophenyl)sulfonyl-hexahydropyrimidine-1-carboxylic acid benzyl ester Formula: C25H31FN4O5S MolecularWeight: 518.600843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3CCC(CC3)N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NC3CCC(CC3)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H31FN4O5S/c26-19-7-13-22(14-8-19)36(33,34)30-16-4-15-29(25(32)35-17-18-5-2-1-3-6-18)24(30)23(31)28-21-11-9-20(27)10-12-21/h1-3,5-8,13-14,20-21,24H,4,9-12,15-17,27H2,(H,28,31)