phenyl 2-[(4-azanylcyclohexyl)carbamoyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-1-carboxylate

Systemtic Name: phenyl 2-[(4-azanylcyclohexyl)carbamoyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-1-carboxylate Openeye Name: phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(2-thienylsulfonyl)hexahydropyrimidine-1-carboxylate CAS Name: 2-[[(4-aminocyclohexyl)amino]-oxomethyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-1-carboxylic acid phenyl ester IUPAC Name: phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-1-carboxylate Traditional Name: 2-[(4-aminocyclohexyl)carbamoyl]-3-(2-thienylsulfonyl)hexahydropyrimidine-1-carboxylic acid phenyl ester Formula: C22H28N4O5S2 MolecularWeight: 492.61152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3CCC(CC3)N)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3CCC(CC3)N)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H28N4O5S2/c23-16-9-11-17(12-10-16)24-20(27)21-25(22(28)31-18-6-2-1-3-7-18)13-5-14-26(21)33(29,30)19-8-4-15-32-19/h1-4,6-8,15-17,21H,5,9-14,23H2,(H,24,27)