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

Systemtic Name: phenyl 2-[(4-azanylcyclohexyl)carbamoyl]-3-(4-fluorophenyl)sulfonyl-1,3-diazinane-1-carboxylate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C24H29FN4O5S MolecularWeight: 504.574263

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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)OC4=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)OC4=CC=CC=C4

InChI

InChI=1S/C24H29FN4O5S/c25-17-7-13-21(14-8-17)35(32,33)29-16-4-15-28(24(31)34-20-5-2-1-3-6-20)23(29)22(30)27-19-11-9-18(26)10-12-19/h1-3,5-8,13-14,18-19,23H,4,9-12,15-16,26H2,(H,27,30)