N-(2-azanylethyl)-1-(2-cyclopentyl-2-phenyl-ethanoyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(2-cyclopentyl-2-phenyl-ethanoyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(2-cyclopentyl-2-phenyl-acetyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-(2-cyclopentyl-1-oxo-2-phenylethyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(2-cyclopentyl-2-phenylacetyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(2-cyclopentyl-2-phenyl-acetyl)hexahydropyrimidine-2-carboxamide Formula: C27H36N4O4S MolecularWeight: 512.66414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(C2=CC=CC=C2)C(=O)N3CCCN(C3C(=O)NCCN)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)C(C2=CC=CC=C2)C(=O)N3CCCN(C3C(=O)NCCN)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H36N4O4S/c28-16-17-29-25(32)26-30(18-9-19-31(26)36(34,35)20-21-10-3-1-4-11-21)27(33)24(23-14-7-8-15-23)22-12-5-2-6-13-22/h1-6,10-13,23-24,26H,7-9,14-20,28H2,(H,29,32)