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

Systemtic Name: N-(2-azanylethyl)-1-(3-bromophenyl)carbonyl-3-(3,4-dichlorophenyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorophenyl)sulfonyl-hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-bromophenyl)-oxomethyl]-3-(3,4-dichlorophenyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorophenyl)sulfonyl-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorophenyl)sulfonyl-hexahydropyrimidine-2-carboxamide Formula: C20H21BrCl2N4O4S MolecularWeight: 564.28014

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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)C3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrCl2N4O4S/c21-14-4-1-3-13(11-14)20(29)26-9-2-10-27(19(26)18(28)25-8-7-24)32(30,31)15-5-6-16(22)17(23)12-15/h1,3-6,11-12,19H,2,7-10,24H2,(H,25,28)