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

Systemtic Name: phenyl 2-[(4-azanylcyclohexyl)carbamoyl]-3-(phenylmethyl)sulfonyl-1,3-diazinane-1-carboxylate Openeye Name: phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-benzylsulfonyl-hexahydropyrimidine-1-carboxylate CAS Name: 2-[[(4-aminocyclohexyl)amino]-oxomethyl]-3-(phenylmethyl)sulfonyl-1,3-diazinane-1-carboxylic acid phenyl ester IUPAC Name: phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-benzylsulfonyl-1,3-diazinane-1-carboxylate Traditional Name: 2-[(4-aminocyclohexyl)carbamoyl]-3-benzylsulfonyl-hexahydropyrimidine-1-carboxylic acid phenyl ester Formula: C25H32N4O5S MolecularWeight: 500.61038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O5S/c26-20-12-14-21(15-13-20)27-23(30)24-28(25(31)34-22-10-5-2-6-11-22)16-7-17-29(24)35(32,33)18-19-8-3-1-4-9-19/h1-6,8-11,20-21,24H,7,12-18,26H2,(H,27,30)