N-(phenylmethyl)-4-[[3-(phenylmethyl)-1,3-diazinan-1-yl]sulfonyl]benzenesulfonamide

Systemtic Name: N-(phenylmethyl)-4-[[3-(phenylmethyl)-1,3-diazinan-1-yl]sulfonyl]benzenesulfonamide Openeye Name: N-benzyl-4-(3-benzylhexahydropyrimidin-1-yl)sulfonyl-benzenesulfonamide CAS Name: N-(phenylmethyl)-4-[[3-(phenylmethyl)-1,3-diazinan-1-yl]sulfonyl]benzenesulfonamide IUPAC Name: N-benzyl-4-[(3-benzyl-1,3-diazinan-1-yl)sulfonyl]benzenesulfonamide Traditional Name: N-benzyl-4-(3-benzylhexahydropyrimidin-1-yl)sulfonyl-benzenesulfonamide Formula: C24H27N3O4S2 MolecularWeight: 485.61888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O4S2/c28-32(29,25-18-21-8-3-1-4-9-21)23-12-14-24(15-13-23)33(30,31)27-17-7-16-26(20-27)19-22-10-5-2-6-11-22/h1-6,8-15,25H,7,16-20H2