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

Systemtic Name: N-cyclopentyl-4-[[3-(phenylmethyl)-1,3-diazinan-1-yl]sulfonyl]benzenesulfonamide Openeye Name: 4-(3-benzylhexahydropyrimidin-1-yl)sulfonyl-N-cyclopentyl-benzenesulfonamide CAS Name: N-cyclopentyl-4-[[3-(phenylmethyl)-1,3-diazinan-1-yl]sulfonyl]benzenesulfonamide IUPAC Name: 4-[(3-benzyl-1,3-diazinan-1-yl)sulfonyl]-N-cyclopentylbenzenesulfonamide Traditional Name: 4-(3-benzylhexahydropyrimidin-1-yl)sulfonyl-N-cyclopentyl-benzenesulfonamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCN(C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCN(C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H29N3O4S2/c26-30(27,23-20-9-4-5-10-20)21-11-13-22(14-12-21)31(28,29)25-16-6-15-24(18-25)17-19-7-2-1-3-8-19/h1-3,7-8,11-14,20,23H,4-6,9-10,15-18H2