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

Systemtic Name: (phenylmethyl) 2-[(4-azanylcyclohexyl)carbamoyl]-3-thiophen-2-ylsulfonyl-1,3-diazinane-1-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C23H30N4O5S2 MolecularWeight: 506.6381

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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)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3CCC(CC3)N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H30N4O5S2/c24-18-9-11-19(12-10-18)25-21(28)22-26(23(29)32-16-17-6-2-1-3-7-17)13-5-14-27(22)34(30,31)20-8-4-15-33-20/h1-4,6-8,15,18-19,22H,5,9-14,16,24H2,(H,25,28)