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

Systemtic Name: N-(2-azanylethyl)-1-(2,4-dichlorophenyl)carbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(2,4-dichlorobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(2,4-dichlorophenyl)-oxomethyl]-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(2,4-dichlorobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(2,4-dichlorobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C21H24Cl2N4O4S MolecularWeight: 499.41066

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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)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H24Cl2N4O4S/c22-16-7-8-17(18(23)13-16)21(29)26-11-4-12-27(20(26)19(28)25-10-9-24)32(30,31)14-15-5-2-1-3-6-15/h1-3,5-8,13,20H,4,9-12,14,24H2,(H,25,28)