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

Systemtic Name: (phenylmethyl) 2-[(4-azanylcyclohexyl)carbamoyl]-3-(phenylmethyl)sulfonyl-1,3-diazinane-1-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-aminocyclohexyl)carbamoyl]-3-benzylsulfonyl-1,3-diazinane-1-carboxylate Traditional Name: 2-[(4-aminocyclohexyl)carbamoyl]-3-benzylsulfonyl-hexahydropyrimidine-1-carboxylic acid benzyl ester Formula: C26H34N4O5S MolecularWeight: 514.63696

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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)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NC3CCC(CC3)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H34N4O5S/c27-22-12-14-23(15-13-22)28-24(31)25-29(26(32)35-18-20-8-3-1-4-9-20)16-7-17-30(25)36(33,34)19-21-10-5-2-6-11-21/h1-6,8-11,22-23,25H,7,12-19,27H2,(H,28,31)