N2-(2-azanylethyl)-N1-(3-bromophenyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide

Systemtic Name: N2-(2-azanylethyl)-N1-(3-bromophenyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide Openeye Name: N2-(2-aminoethyl)-3-benzylsulfonyl-N1-(3-bromophenyl)hexahydropyrimidine-1,2-dicarboxamide CAS Name: N2-(2-aminoethyl)-N1-(3-bromophenyl)-3-(phenylmethyl)sulfonyl-1,3-diazinane-1,2-dicarboxamide IUPAC Name: 2-N-(2-aminoethyl)-3-benzylsulfonyl-1-N-(3-bromophenyl)-1,3-diazinane-1,2-dicarboxamide Traditional Name: N'-(2-aminoethyl)-3-benzylsulfonyl-N-(3-bromophenyl)hexahydropyrimidine-1,2-dicarboxamide Formula: C21H26BrN5O4S MolecularWeight: 524.43124

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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)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(C(N(C1)S(=O)(=O)CC2=CC=CC=C2)C(=O)NCCN)C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H26BrN5O4S/c22-17-8-4-9-18(14-17)25-21(29)26-12-5-13-27(20(26)19(28)24-11-10-23)32(30,31)15-16-6-2-1-3-7-16/h1-4,6-9,14,20H,5,10-13,15,23H2,(H,24,28)(H,25,29)