N-(2-azanylethyl)-1-(3,4-dichlorophenyl)sulfonyl-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide

Systemtic Name: N-(2-azanylethyl)-1-(3,4-dichlorophenyl)sulfonyl-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3,4-dichlorophenyl)sulfonyl-3-(3-phenylpropanoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-(3,4-dichlorophenyl)sulfonyl-3-(1-oxo-3-phenylpropyl)-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3,4-dichlorophenyl)sulfonyl-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3,4-dichlorophenyl)sulfonyl-3-hydrocinnamoyl-hexahydropyrimidine-2-carboxamide Formula: C22H26Cl2N4O4S MolecularWeight: 513.43724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26Cl2N4O4S/c23-18-9-8-17(15-19(18)24)33(31,32)28-14-4-13-27(22(28)21(30)26-12-11-25)20(29)10-7-16-5-2-1-3-6-16/h1-3,5-6,8-9,15,22H,4,7,10-14,25H2,(H,26,30)