N-(2-azanylethyl)-1-cyclohexylcarbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-cyclohexylcarbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(cyclohexanecarbonyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[cyclohexyl(oxo)methyl]-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(cyclohexanecarbonyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(cyclohexanecarbonyl)hexahydropyrimidine-2-carboxamide Formula: C21H32N4O4S MolecularWeight: 436.56818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCCN(C2C(=O)NCCN)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H32N4O4S/c22-12-13-23-19(26)20-24(21(27)18-10-5-2-6-11-18)14-7-15-25(20)30(28,29)16-17-8-3-1-4-9-17/h1,3-4,8-9,18,20H,2,5-7,10-16,22H2,(H,23,26)