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

Systemtic Name: N-(2-azanylethyl)-1-(phenylmethyl)sulfonyl-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(3-phenylpropanoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-(1-oxo-3-phenylpropyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-hydrocinnamoyl-hexahydropyrimidine-2-carboxamide Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NCCN)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NCCN)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O4S/c24-14-15-25-22(29)23-26(21(28)13-12-19-8-3-1-4-9-19)16-7-17-27(23)32(30,31)18-20-10-5-2-6-11-20/h1-6,8-11,23H,7,12-18,24H2,(H,25,29)