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

Systemtic Name: N-(2-azanylethyl)-1-(3-bromophenyl)carbonyl-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide Openeye Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(3-bromobenzoyl)hexahydropyrimidine-2-carboxamide CAS Name: N-(2-aminoethyl)-1-[(3-bromophenyl)-oxomethyl]-3-(phenylmethyl)sulfonyl-1,3-diazinane-2-carboxamide IUPAC Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(3-bromobenzoyl)-1,3-diazinane-2-carboxamide Traditional Name: N-(2-aminoethyl)-1-benzylsulfonyl-3-(3-bromobenzoyl)hexahydropyrimidine-2-carboxamide Formula: C21H25BrN4O4S MolecularWeight: 509.4166

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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=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN4O4S/c22-18-9-4-8-17(14-18)21(28)25-12-5-13-26(20(25)19(27)24-11-10-23)31(29,30)15-16-6-2-1-3-7-16/h1-4,6-9,14,20H,5,10-13,15,23H2,(H,24,27)